diff --git a/chebi_slim.obo b/chebi_slim.obo index d148481..e526c0c 100644 --- a/chebi_slim.obo +++ b/chebi_slim.obo @@ -1,5 +1,5 @@ format-version: 1.2 -data-version: chebi/obophenotype/releases/2024-07-26/chebi_slim.owl +data-version: chebi/obophenotype/releases/2024-08-02/chebi_slim.owl subsetdef: 1_STAR "" subsetdef: 2_STAR "" subsetdef: 3_STAR "" @@ -7,7 +7,7 @@ synonymtypedef: BRAND_NAME "" synonymtypedef: INN "" synonymtypedef: IUPAC_NAME "" ontology: chebi/obophenotype/chebi_slim -property_value: owl:versionInfo "2024-07-26" xsd:string +property_value: owl:versionInfo "2024-08-02" xsd:string [Term] id: CHEBI:100147 @@ -1634,7 +1634,7 @@ def: "The conjugate base of gamma-amino-beta-hydroxybutyric acid arising from de subset: 3_STAR synonym: "4-Amino-3-hydroxybutanoate" EXACT [KEGG_COMPOUND] xref: CAS:352-21-6 {source="KEGG COMPOUND"} -xref: KEGG:C03678 {source="ChEBI"} +xref: KEGG:C03678 is_a: CHEBI:36059 ! hydroxy monocarboxylic acid anion is_a: CHEBI:71666 ! gamma-amino acid anion relationship: has_functional_parent CHEBI:17968 ! butyrate @@ -7629,6 +7629,38 @@ property_value: http://purl.obolibrary.org/obo/chebi/mass "59.024" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "59.00073" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C([N+]([O-])=O)(*)*" xsd:string +[Term] +id: CHEBI:139291 +name: chlorophyll(1-) +namespace: chebi_ontology +def: "A cyclic tetrapyrrole anion that is the carbanion obtained by removal of the acidic proton from position 21 of any chlorophyll. Major species at pH 7.3" [] +subset: 3_STAR +synonym: "a chlorophyll" RELATED [UniProt] +xref: Wikipedia:Chlorophyll {source="SUBMITTER"} +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion +relationship: is_conjugate_base_of CHEBI:28966 ! chlorophyll +property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C49H57MgN4O5R4" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "806.308" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "805.41794" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=2N3C(C=C4[N+]5=C(C=C6N7C8=C(C9=[N+](C(=C1)[C@H]([C@@H]9CCC(OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)\\C)=O)C)[Mg-2]735)[C-](C(C8=C6C)=O)C(=O)OC)C(=C4*)*)=C(C2*)*" xsd:string + +[Term] +id: CHEBI:139292 +name: chlorophyllide(2-) +namespace: chebi_ontology +def: "A cyclic tetrapyrrole anion obtained by removal of the acidic proton from position 21 as well as deprotonation of the carboxy group of any chlorophyllide. Major species at pH 7.3" [] +subset: 3_STAR +synonym: "a chlorophyllide" RELATED [UniProt] +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion +relationship: is_conjugate_base_of CHEBI:38206 ! chlorophyllide +property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C29H18MgN4O5R4" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "526.783" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "526.11276" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=2N3C(C=C4[N+]5=C(C=C6N7C8=C(C9=[N+](C(=C1)[C@H]([C@@H]9CCC([O-])=O)C)[Mg-2]735)[C-](C(C8=C6C)=O)C(=O)OC)C(=C4*)*)=C(C2*)*" xsd:string + [Term] id: CHEBI:139300 name: (+)-jasmonic acid @@ -9207,7 +9239,7 @@ def: "An ammonium ion that is the conjugate acid of tigecycline; major species a subset: 3_STAR synonym: "(1S,4aS,11aR,12aS)-8-[2-(tert-butylammonio)acetamido]-3-carbamoyl-10-(dimethylamino)-1-(dimethylammonio)-4a,5,7-trihydroxy-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-2-olate" EXACT IUPAC_NAME [IUPAC] synonym: "tigecycline" RELATED [UniProt] -xref: MetaCyc:CPD-19260 {source="WebElements"} +xref: MetaCyc:CPD-19260 xref: PMID:16128584 {source="SUBMITTER"} is_a: CHEBI:35274 ! ammonium ion derivative relationship: is_conjugate_acid_of CHEBI:149836 ! tigecycline @@ -11857,6 +11889,46 @@ property_value: http://purl.obolibrary.org/obo/chebi/mass "300.43512" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "300.20893" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(\\C=C\\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C/C(O)=O" xsd:string +[Term] +id: CHEBI:15368 +name: acrolein +namespace: chebi_ontology +alt_id: CHEBI:13720 +alt_id: CHEBI:22214 +alt_id: CHEBI:2434 +def: "An enal that is prop-2-ene with an oxo group at position 1." [] +subset: 3_STAR +synonym: "Acrolein" EXACT [KEGG_COMPOUND] +synonym: "acrolein" EXACT [UniProt] +synonym: "Acrylaldehyde" RELATED [KEGG_COMPOUND] +synonym: "acrylaldehyde" EXACT IUPAC_NAME [IUPAC] +synonym: "Acrylic aldehyde" RELATED [KEGG_COMPOUND] +synonym: "Propenal" RELATED [KEGG_COMPOUND] +xref: CAS:107-02-8 {source="KEGG COMPOUND"} +xref: HMDB:HMDB0041822 +xref: KEGG:C01471 +xref: MetaCyc:ACROLEIN +xref: PMID:11888018 {source="Europe PMC"} +xref: PMID:16725382 {source="Europe PMC"} +xref: PMID:18023956 {source="Europe PMC"} +xref: PMID:18234483 {source="Europe PMC"} +xref: PMID:18686065 {source="Europe PMC"} +xref: PMID:18823586 {source="Europe PMC"} +xref: PPDB:1016 +xref: Reaxys:741856 {source="Reaxys"} +xref: Wikipedia: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 +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H4O" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HGINCPLSRVDWNT-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "56.06326" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "56.02621" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=C)C([H])=O" xsd:string + [Term] id: CHEBI:15369 name: actinomycin @@ -13196,6 +13268,37 @@ property_value: http://purl.obolibrary.org/obo/chebi/mass "279.244" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "279.09542" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(C(OC(OC[C@@H]([C@@H](*)O)NC(=O)*)C(C1O)O)CO)O" xsd:string +[Term] +id: CHEBI:155827 +name: argon-39 atom +namespace: chebi_ontology +def: "A trace radioisotope of argon with atomic mass of 38.964313 and a half-life of 269 years." [] +subset: 3_STAR +synonym: "(39)18Ar" RELATED [ChEBI] +synonym: "(39)Ar" RELATED [ChemIDplus] +synonym: "(39)Ar radioisotope" RELATED [ChEBI] +synonym: "Ar-39" RELATED [ChEBI] +synonym: "Ar-39 radioisotope" RELATED [ChEBI] +synonym: "argon 39" RELATED [ChEBI] +synonym: "argon, isotope of mass 39" RELATED [ChemIDplus] +synonym: "argon-39" RELATED [ChEBI] +xref: CAS:25729-41-3 {source="ChemIDplus"} +xref: PMID:16429279 {source="Europe PMC"} +xref: PMID:17781454 {source="Europe PMC"} +xref: PMID:17791262 {source="Europe PMC"} +xref: PMID:28017500 {source="Europe PMC"} +xref: PMID:28755564 {source="Europe PMC"} +xref: PMID:30487580 {source="Europe PMC"} +is_a: CHEBI:49475 ! argon atom +relationship: has_role CHEBI:35206 ! isotopic tracer +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[39Ar]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ar/i1-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XKRFYHLGVUSROY-BJUDXGSMSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "38.964" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "38.96431" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Ar]" xsd:string + [Term] id: CHEBI:155834 name: phosphatidylethanolamine 34:1 @@ -13245,6 +13348,103 @@ property_value: http://purl.obolibrary.org/obo/chebi/mass "186.146" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "186.05148" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(=O)([C@@H]([NH3+])*)N[C@H](C(=O)N[C@H](C(=O)[O-])*)*" xsd:string +[Term] +id: CHEBI:155903 +name: copper(II) phthalocyanine +namespace: chebi_ontology +def: "A metallophthalocyanine that is copper(2+) forming a coordination complex with phthalocyanine. It is a synthetic blue pigment which is used as a colorant in paints and dyes." [] +subset: 3_STAR +synonym: "[29H,31H-phthalocyaninato(2-)-kappa(4)N(29),N(30),N(31),N(32)]copper" EXACT IUPAC_NAME [IUPAC] +synonym: "Accosperse cyan blue GT" RELATED BRAND_NAME [ChemIDplus] +synonym: "Aqualine blue" RELATED BRAND_NAME [ChemIDplus] +synonym: "Arlocyanine blue PS" RELATED BRAND_NAME [ChemIDplus] +synonym: "Bahama blue BC" RELATED BRAND_NAME [ChemIDplus] +synonym: "Bahama blue BNC" RELATED BRAND_NAME [ChemIDplus] +synonym: "Bahama blue lake NCNF" RELATED BRAND_NAME [ChemIDplus] +synonym: "Bahama blue WD" RELATED BRAND_NAME [ChemIDplus] +synonym: "Bermuda blue" RELATED BRAND_NAME [ChemIDplus] +synonym: "Blue GLA" RELATED BRAND_NAME [ChemIDplus] +synonym: "C.I. 74160" RELATED [ChemIDplus] +synonym: "C.I. pigment blue 15" RELATED [ChemIDplus] +synonym: "Congo blue B 4" RELATED BRAND_NAME [NIST_Chemistry_WebBook] +synonym: "copper (II) phthalocyanine" RELATED [ChemIDplus] +synonym: "copper phthalocyanin" RELATED [ChemIDplus] +synonym: "copper phthalocyanine" RELATED [ChemIDplus] +synonym: "copper phthalocyanine blue" RELATED [ChemIDplus] +synonym: "copper tetrabenzoporphyrazine" RELATED [ChEBI] +synonym: "copper(2+) phthalocyanine" RELATED [ChemIDplus] +synonym: "copper-phthalocyanine" RELATED [ChemIDplus] +synonym: "Cromophtal blue 4G" RELATED BRAND_NAME [ChemIDplus] +synonym: "Cromophtal blue 4GN" RELATED BRAND_NAME [ChemIDplus] +synonym: "Cromophtal blue GF" RELATED BRAND_NAME [ChemIDplus] +synonym: "Cu-phthaloblue" RELATED [ChEBI] +synonym: "CuPc" RELATED [ChEBI] +synonym: "Cyan blue GT" RELATED BRAND_NAME [ChEBI] +synonym: "Cyan blue GTNF" RELATED BRAND_NAME [ChemIDplus] +synonym: "Cyan peacock blue G" RELATED BRAND_NAME [ChemIDplus] +synonym: "Cyanine blue BB" RELATED BRAND_NAME [ChemIDplus] +synonym: "Cyanine Blue BF" RELATED BRAND_NAME [ChemIDplus] +synonym: "Cyanine Blue C" RELATED BRAND_NAME [ChemIDplus] +synonym: "Cyanine Blue GNPS" RELATED BRAND_NAME [ChemIDplus] +synonym: "Cyanine Blue HB" RELATED BRAND_NAME [ChemIDplus] +synonym: "Cyanine blue LBG" RELATED BRAND_NAME [ChemIDplus] +synonym: "Cyanine blue Rnf" RELATED BRAND_NAME [ChemIDplus] +synonym: "Fastogen blue" RELATED BRAND_NAME [ChemIDplus] +synonym: "Fastolux blue" RELATED BRAND_NAME [ChemIDplus] +synonym: "Fastolux peacock blue" RELATED BRAND_NAME [ChemIDplus] +synonym: "Graphtol blue" RELATED BRAND_NAME [ChemIDplus] +synonym: "Helio blue B" RELATED BRAND_NAME [ChemIDplus] +synonym: "Helio fast blue" RELATED BRAND_NAME [ChemIDplus] +synonym: "Heliogen blue" RELATED BRAND_NAME [ChemIDplus] +synonym: "Hostaperm blue" RELATED BRAND_NAME [ChemIDplus] +synonym: "Indolen blue 3G" RELATED BRAND_NAME [ChemIDplus] +synonym: "Irgalite blue" RELATED BRAND_NAME [ChemIDplus] +synonym: "Irgaplast blue RBP" RELATED BRAND_NAME [ChemIDplus] +synonym: "Isol fast blue" RELATED BRAND_NAME [ChemIDplus] +synonym: "Isol phthalo blue" RELATED BRAND_NAME [ChemIDplus] +synonym: "Linnol blue" RELATED BRAND_NAME [ChemIDplus] +synonym: "Lumatex blue B" RELATED BRAND_NAME [ChemIDplus] +synonym: "Lutetia fast cyanine B" RELATED BRAND_NAME [ChemIDplus] +synonym: "Monarch blue" RELATED BRAND_NAME [ChemIDplus] +synonym: "Monarch blue toner" RELATED BRAND_NAME [ChemIDplus] +synonym: "Monastral blue B" RELATED BRAND_NAME [NIST_Chemistry_WebBook] +synonym: "pigment blue 15" RELATED [ChemIDplus] +xref: CAS:147-14-8 {source="ChemIDplus"} +xref: CAS:147-14-8 {source="NIST Chemistry WebBook"} +xref: PMID:1236148 {source="Europe PMC"} +xref: PMID:25974675 {source="Europe PMC"} +xref: PMID:26166552 {source="Europe PMC"} +xref: PMID:26450310 {source="Europe PMC"} +xref: PMID:30548371 {source="Europe PMC"} +xref: PMID:31459092 {source="Europe PMC"} +xref: PMID:31460132 {source="Europe PMC"} +xref: PMID:31560544 {source="Europe PMC"} +xref: PMID:32272836 {source="Europe PMC"} +xref: PMID:32282215 {source="Europe PMC"} +xref: PMID:3979886 {source="Europe PMC"} +xref: PMID:7359622 {source="Europe PMC"} +xref: Reaxys:4121848 {source="Reaxys"} +xref: Wikipedia:Phthalocyanine_Blue_BN +is_a: CHEBI:155908 ! copper tetrapyrrole +is_a: CHEBI:51585 ! metallophthalocyanine +relationship: has_role CHEBI:51217 ! fluorochrome +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C32H16CuN8" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C32H16N8.Cu/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16H;/q-2;+2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XCJYREBRNVKWGJ-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "576.082" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "575.07939" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C12=N3C(=NC=4N5C(N=C6N7=C(N=C8N(C(=N1)C9=CC=CC=C89)[Cu]357)C%10=CC=CC=C6%10)=C%11C=CC=CC4%11)C%12=CC=CC=C2%12" xsd:string + +[Term] +id: CHEBI:155908 +name: copper tetrapyrrole +namespace: chebi_ontology +subset: 3_STAR +synonym: "copper tetrapyrroles" RELATED [ChEBI] +is_a: CHEBI:33909 ! metallotetrapyrrole +is_a: CHEBI:37403 ! copper coordination entity + [Term] id: CHEBI:15595 name: malate(2-) @@ -24057,6 +24257,39 @@ xref: PMID:32481022 {source="SUBMITTER"} xref: Wikipedia:https\://en.wikipedia.org/wiki/Albumin#Other_albumin_types {source="SUBMITTER"} is_a: CHEBI:36080 ! protein +[Term] +id: CHEBI:166975 +name: soybean oil +namespace: chebi_ontology +def: "An oil extracted from the seeds of Glycine max. Typical fatty acid composition is 51% linoleic acid, 7-10% alpha-linolenic acid, 23% oleic acid, 10% palmitic acid and 4% stearic acid." [] +subset: 3_STAR +synonym: "extract of soy" RELATED [ChemIDplus] +synonym: "Intrafat" RELATED BRAND_NAME [KEGG_DRUG] +synonym: "Intralipid" RELATED BRAND_NAME [KEGG_DRUG] +synonym: "oils, soybean" RELATED [ChemIDplus] +synonym: "soy bean oil" RELATED [ChEBI] +synonym: "soy oil" RELATED [SUBMITTER] +synonym: "soy-bean oil" RELATED [ChemIDplus] +synonym: "soya bean oil" RELATED [ChemIDplus] +synonym: "soya oil" RELATED [ChemIDplus] +synonym: "soya-bean oil" RELATED [ChemIDplus] +xref: AGR:IND605943385 {source="Europe PMC"} +xref: CAS:8001-22-7 {source="ChemIDplus"} +xref: DrugBank:DB09422 +xref: KEGG:D04962 +xref: PMID:19783644 {source="SUBMITTER"} +xref: PMID:26365705 {source="Europe PMC"} +xref: PMID:32625705 {source="Europe PMC"} +xref: PMID:33357113 {source="Europe PMC"} +xref: Wikipedia:Soybean_oil +is_a: CHEBI:60004 ! mixture +relationship: has_part CHEBI:15756 ! hexadecanoic acid +relationship: has_part CHEBI:16196 ! oleic acid +relationship: has_part CHEBI:17351 ! linoleic acid +relationship: has_part CHEBI:27432 ! alpha-linolenic acid +relationship: has_part CHEBI:28842 ! octadecanoic acid +relationship: has_role CHEBI:50913 ! fixative + [Term] id: CHEBI:16698 name: cyanamide @@ -27054,6 +27287,34 @@ property_value: http://purl.obolibrary.org/obo/chebi/mass "381.48770" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "381.26441" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)COP(O)(O)=O" xsd:string +[Term] +id: CHEBI:16900 +name: chlorophyllide a +namespace: chebi_ontology +alt_id: CHEBI:13976 +alt_id: CHEBI:13977 +alt_id: CHEBI:23159 +alt_id: CHEBI:3633 +subset: 3_STAR +synonym: "Chlorophyllid a" RELATED [ChEBI] +synonym: "Chlorophyllide a" EXACT [KEGG_COMPOUND] +xref: Beilstein:5801116 {source="Beilstein"} +xref: CAS:14897-06-4 {source="ChemIDplus"} +xref: CAS:14897-06-4 {source="KEGG COMPOUND"} +xref: KEGG:C02139 +xref: KNApSAcK:C00007316 +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:36244 ! dicarboxylic acid monoester +is_a: CHEBI:38206 ! chlorophyllide +relationship: is_conjugate_acid_of CHEBI:57942 ! chlorophyllide a(1-) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C35H34MgN4O5" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C35H36N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8,12-14,17,21,31H,1,9-11H2,2-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-2/t17-,21-,31+;/m0./s1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ANWUQYTXRXCEMZ-NYABAGMLSA-L" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "614.97300" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "614.23796" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC1=C(C)C2=Cc3c(C=C)c(C)c4C=C5[C@@H](C)[C@H](CCC(O)=O)C6=[N+]5[Mg--]5(n34)n3c(=CC1=[N+]25)c(C)c1C(=O)[C@H](C(=O)OC)C6=c31" xsd:string + [Term] id: CHEBI:16907 name: 4-nitroquinoline N-oxide @@ -28689,6 +28950,81 @@ property_value: http://purl.obolibrary.org/obo/chebi/mass "262.15166" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "262.04537" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O" xsd:string +[Term] +id: CHEBI:17045 +name: dinitrogen oxide +namespace: chebi_ontology +alt_id: CHEBI:14661 +alt_id: CHEBI:25568 +alt_id: CHEBI:44250 +alt_id: CHEBI:7598 +def: "A nitrogen oxide consisting of linear unsymmetrical molecules with formula N2O. While it is the most used gaseous anaesthetic in the world, its major commercial use, due to its solubility under pressure in vegetable fats combined with its non-toxicity in low concentrations, is as an aerosol spray propellant and aerating agent for canisters of 'whipped' cream." [] +subset: 3_STAR +synonym: "diazyne 1-oxide" RELATED [NIST_Chemistry_WebBook] +synonym: "Dinitrogen monoxide" RELATED [KEGG_COMPOUND] +synonym: "Dinitrogen oxide" EXACT [KEGG_COMPOUND] +synonym: "dinitrogen oxide" EXACT IUPAC_NAME [IUPAC] +synonym: "Distickstoffmonoxid" RELATED [ChEBI] +synonym: "E942" RELATED [ChEBI] +synonym: "factitious air" RELATED [ChemIDplus] +synonym: "gaz hilarant" RELATED [ChEBI] +synonym: "Lachgas" RELATED [ChEBI] +synonym: "laughing gas" RELATED [ChemIDplus] +synonym: "N2O" RELATED [IUPAC] +synonym: "nitrogen protoxide" RELATED [ChemIDplus] +synonym: "nitrogenium oxydulatum" RELATED [ChEBI] +synonym: "Nitrous oxide" RELATED [KEGG_COMPOUND] +synonym: "nitrous oxide" RELATED [UniProt] +synonym: "NNO" RELATED [IUPAC] +synonym: "oxidodinitrogen(N--N)" EXACT IUPAC_NAME [IUPAC] +synonym: "oxyde nitreux" RELATED [ChEBI] +synonym: "protoxyde d'azote" RELATED [ChemIDplus] +synonym: "R-744A" RELATED [ChEBI] +synonym: "Stickstoff(I)-oxid" RELATED [ChEBI] +xref: Beilstein:8137358 {source="Beilstein"} +xref: CAS:10024-97-2 {source="ChemIDplus"} +xref: CAS:10024-97-2 {source="NIST Chemistry WebBook"} +xref: CAS:10024-97-2 {source="KEGG COMPOUND"} +xref: Drug_Central:4238 {source="DrugCentral"} +xref: Gmelin:2153410 {source="Gmelin"} +xref: KEGG:C00887 +xref: KEGG:D00102 +xref: PDBeChem:N2O +xref: PMID:11159233 {source="Europe PMC"} +xref: PMID:11811748 {source="Europe PMC"} +xref: PMID:15316643 {source="Europe PMC"} +xref: PMID:15644008 {source="Europe PMC"} +xref: PMID:16179535 {source="Europe PMC"} +xref: PMID:17093360 {source="Europe PMC"} +xref: PMID:18992971 {source="Europe PMC"} +xref: PMID:19910265 {source="Europe PMC"} +xref: PMID:21622873 {source="Europe PMC"} +xref: PMID:23643142 {source="Europe PMC"} +xref: PMID:7880215 {source="Europe PMC"} +xref: Reaxys:8137358 {source="Reaxys"} +xref: UM-BBD_compID:c0650 {source="UM-BBD"} +xref: Wikipedia:Nitrous_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 +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "N2O" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/N2O/c1-2-3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GQPLMRYTRLFLPF-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "44.01280" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.00106" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-][N+]#N" xsd:string + [Term] id: CHEBI:17050 name: 3-phosphoglyceric acid @@ -40303,6 +40639,43 @@ property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10O5" xsd:strin property_value: http://purl.obolibrary.org/obo/chebi/mass "150.130" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "150.05282" xsd:string +[Term] +id: CHEBI:18230 +name: chlorophyll a +namespace: chebi_ontology +alt_id: CHEBI:13974 +alt_id: CHEBI:23157 +alt_id: CHEBI:3631 +alt_id: CHEBI:48807 +subset: 3_STAR +synonym: "(SP-4-2)-((2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl (3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(2-)-kappaN(23),kappaN(24),kappaN(25),kappaN(26))-magnesium" RELATED [ChemIDplus] +synonym: "[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl (2(2)R,17S,18S)-7-ethyl-2(1),2(2),17,18-tetrahydro-2(2)-(methoxycarbonyl)-3,8,13,17-tetramethyl-2(1)-oxo-12-ethenylcyclopenta[at]porphyrin-18-propanoato(2-)]magnesium" EXACT IUPAC_NAME [IUPAC] +synonym: "Chlorophyll" RELATED [ChemIDplus] +synonym: "CHLOROPHYLL A" EXACT [PDBeChem] +synonym: "Chlorophyll a" EXACT [KEGG_COMPOUND] +xref: Beilstein:1208847 {source="Beilstein"} +xref: Beilstein:4651978 {source="Beilstein"} +xref: CAS:479-61-8 {source="KEGG COMPOUND"} +xref: CAS:479-61-8 {source="ChemIDplus"} +xref: COMe:MOL000003 +xref: DrugBank:DB02133 +xref: Gmelin:475109 {source="Gmelin"} +xref: KEGG:C05306 +xref: KNApSAcK:C00001528 +xref: PDBeChem:CLA +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:28966 ! chlorophyll +relationship: has_functional_parent CHEBI:16900 ! chlorophyllide a +relationship: has_role CHEBI:23357 ! cofactor +relationship: is_conjugate_acid_of CHEBI:58416 ! chlorophyll a(1-) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C55H72MgN4O5" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32-,33-,37+,41+,51-;/m1./s1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ATNHDLDRLWWWCB-AENOIHSZSA-M" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "893.48900" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "892.53531" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC1=C(C)C2=Cc3c(C=C)c(C)c4C=C5[C@@H](C)[C@H](CCC(=O)OC\\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C6=[N+]5[Mg--]5(n34)n3c(=CC1=[N+]25)c(C)c1C(=O)[C@H](C(=O)OC)C6=c31" xsd:string + [Term] id: CHEBI:18231 name: arsenic acid @@ -40478,6 +40851,33 @@ property_value: http://purl.obolibrary.org/obo/chebi/mass "153.17840" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "153.07898" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCCc1ccc(O)c(O)c1" xsd:string +[Term] +id: CHEBI:18246 +name: (1->4)-beta-D-glucan +namespace: chebi_ontology +alt_id: CHEBI:10812 +alt_id: CHEBI:23063 +alt_id: CHEBI:3529 +def: "A beta-D-glucan in which the glucose units are connected by (1->4) linkages." [] +subset: 3_STAR +synonym: "(1,4-beta-D-Glucosyl)n" RELATED [KEGG_COMPOUND] +synonym: "(1,4-beta-D-glucosyl)n" RELATED [IUBMB] +synonym: "(1,4-beta-D-glucosyl)n" RELATED [UniProt] +synonym: "(1,4-beta-D-Glucosyl)n+1" RELATED [KEGG_COMPOUND] +synonym: "(1,4-beta-D-Glucosyl)n-1" RELATED [KEGG_COMPOUND] +synonym: "(1->4)-beta-D-glucopyranan" EXACT IUPAC_NAME [IUPAC] +synonym: "1,4-beta-D-Glucan" RELATED [KEGG_COMPOUND] +synonym: "Cellulose" RELATED [KEGG_COMPOUND] +xref: CAS:9004-34-6 {source="KEGG COMPOUND"} +xref: CAS:9004-34-6 {source="ChemIDplus"} +xref: HMDB:HMDB0006944 +xref: KEGG:C00760 +xref: KEGG:D00093 +xref: KEGG:G10481 +is_a: CHEBI:28793 ! beta-D-glucan +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "(C6H10O5)nH2O" xsd:string + [Term] id: CHEBI:18248 name: iron atom @@ -40807,6 +41207,58 @@ property_value: http://purl.obolibrary.org/obo/chebi/mass "117.123" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "117.05517" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1O[C@@H]([*])C[C@@H]1O" xsd:string +[Term] +id: CHEBI:18276 +name: dihydrogen +namespace: chebi_ontology +alt_id: CHEBI:13350 +alt_id: CHEBI:25363 +alt_id: CHEBI:5785 +def: "An elemental molecule consisting of two hydrogens joined by a single bond." [] +subset: 3_STAR +synonym: "dihydrogen" EXACT [ChEBI] +synonym: "dihydrogen" EXACT IUPAC_NAME [IUPAC] +synonym: "E 949" RELATED [ChEBI] +synonym: "E-949" RELATED [ChEBI] +synonym: "E949" RELATED [ChEBI] +synonym: "H2" RELATED [UniProt] +synonym: "H2" RELATED [KEGG_COMPOUND] +synonym: "H2" RELATED [IUPAC] +synonym: "Hydrogen" RELATED [KEGG_COMPOUND] +synonym: "molecular hydrogen" RELATED [ChEBI] +xref: CAS:1333-74-0 {source="ChemIDplus"} +xref: CAS:1333-74-0 {source="NIST Chemistry WebBook"} +xref: CAS:1333-74-0 {source="KEGG COMPOUND"} +xref: Gmelin:3 {source="Gmelin"} +xref: HMDB:HMDB0001362 +xref: KEGG:C00282 +xref: MetaCyc:HYDROGEN-MOLECULE +xref: MolBase:748 +xref: PMID:15303745 {source="Europe PMC"} +xref: PMID:16517646 {source="Europe PMC"} +xref: PMID:18706888 {source="Europe PMC"} +xref: PMID:19905000 {source="Europe PMC"} +xref: PMID:19908827 {source="Europe PMC"} +xref: PMID:20568549 {source="Europe PMC"} +xref: PMID:24171421 {source="Europe PMC"} +xref: Reaxys:3587189 {source="Reaxys"} +xref: Wikipedia:Hydrogen +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 +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "H2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2/h1H" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UFHFLCQGNIYNRP-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "2.01588" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "2.01565" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][H]" xsd:string + [Term] id: CHEBI:18282 name: nucleobase @@ -41786,8 +42238,9 @@ xref: CAS:14265-44-2 {source="KEGG COMPOUND"} xref: CAS:14265-44-2 {source="ChemIDplus"} xref: Gmelin:1997 {source="Gmelin"} xref: KEGG:C00009 -xref: PDBeChem:PO4 {source="ChEBI"} +xref: PDBeChem:PO4 xref: Reaxys:3903772 {source="Reaxys"} +xref: Wikipedia:Phosphate is_a: CHEBI:35780 ! phosphate ion is_a: CHEBI:79387 ! trivalent inorganic anion relationship: is_conjugate_base_of CHEBI:43474 ! hydrogenphosphate @@ -42596,6 +43049,64 @@ property_value: http://purl.obolibrary.org/obo/chebi/mass "531.671" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "531.33249" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "P(OCC[N+](C)(C)C)(OC[C@H](O)COC(=O)CCCCCCCC/C=C\\C/C=C\\C/C=C\\CC)([O-])=O" xsd:string +[Term] +id: CHEBI:18422 +name: sulfur dioxide +namespace: chebi_ontology +alt_id: CHEBI:45789 +alt_id: CHEBI:8992 +alt_id: CHEBI:9351 +subset: 3_STAR +synonym: "[SO2]" RELATED [IUPAC] +synonym: "dioxidosulfur" EXACT IUPAC_NAME [IUPAC] +synonym: "oxosulfane oxide" RELATED [PDBeChem] +synonym: "R-764" RELATED [ChEBI] +synonym: "Schwefel(IV)-oxid" RELATED [ChEBI] +synonym: "Schwefeldioxid" RELATED [ChemIDplus] +synonym: "SO2" RELATED [IUPAC] +synonym: "SO2" RELATED [KEGG_COMPOUND] +synonym: "SULFUR DIOXIDE" EXACT [PDBeChem] +synonym: "Sulfur dioxide" EXACT [KEGG_COMPOUND] +synonym: "sulfur dioxide" EXACT IUPAC_NAME [IUPAC] +synonym: "sulfurous anhydride" RELATED [NIST_Chemistry_WebBook] +synonym: "sulfurous oxide" RELATED [NIST_Chemistry_WebBook] +synonym: "sulphur dioxide" RELATED [NIST_Chemistry_WebBook] +xref: CAS:7446-09-5 {source="ChemIDplus"} +xref: CAS:7446-09-5 {source="NIST Chemistry WebBook"} +xref: CAS:7446-09-5 {source="KEGG COMPOUND"} +xref: DrugBank:DB16426 +xref: FooDB:FDB013399 +xref: Gmelin:1443 {source="Gmelin"} +xref: HMDB:HMDB0034834 +xref: KEGG:C09306 +xref: KEGG:D05961 +xref: PDBeChem:SO2 +xref: PMID:19238997 {source="Europe PMC"} +xref: PMID:36976798 {source="Europe PMC"} +xref: PMID:37049885 {source="Europe PMC"} +xref: PMID:37192218 {source="Europe PMC"} +xref: PMID:37439466 {source="Europe PMC"} +xref: PMID:37844159 {source="Europe PMC"} +xref: PMID:38099545 {source="Europe PMC"} +xref: PMID:38232945 {source="Europe PMC"} +xref: PMID:38305621 {source="Europe PMC"} +xref: PMID:38414396 {source="Europe PMC"} +xref: PMID:38476666 {source="Europe PMC"} +xref: PMID:38642156 {source="Europe PMC"} +xref: PMID:38661196 {source="Europe PMC"} +xref: Wikipedia: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 +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "O2S" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/O2S/c1-3-2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RAHZWNYVWXNFOC-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "64.06480" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "63.96190" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=S=O" xsd:string + [Term] id: CHEBI:184376 name: streptidine(2+) @@ -48043,6 +48554,16 @@ synonym: "carotenes" EXACT IUPAC_NAME [IUPAC] synonym: "carotenes" RELATED [ChEBI] is_a: CHEBI:35193 ! tetraterpene +[Term] +id: CHEBI:23043 +name: epoxycarotenoid +namespace: chebi_ontology +subset: 3_STAR +synonym: "carotenoid epoxides" RELATED [ChEBI] +synonym: "epoxycarotenoids" RELATED [ChEBI] +is_a: CHEBI:27325 ! xanthophyll +is_a: CHEBI:32955 ! epoxide + [Term] id: CHEBI:23044 name: carotenoid @@ -48610,6 +49131,23 @@ subset: 3_STAR synonym: "chloropropenes" RELATED [ChEBI] is_a: CHEBI:36387 ! chloroalkene +[Term] +id: CHEBI:231691 +name: sialylglycoconjugate anion +namespace: chebi_ontology +def: "A sialylglycoconjugate where the composition of the glycoconjugate represented with an R is not defined, can be an oligosaccharide, a glycoprotein or a glycolipid." [] +subset: 2_STAR +synonym: "a sialoglycoconjugate" RELATED [UniProt] +synonym: "a sialoglycoconjugate anion" RELATED [SUBMITTER] +synonym: "Neu5Ac-glycoconjugate anion" RELATED [SUBMITTER] +is_a: CHEBI:78616 ! carbohydrates and carbohydrate derivatives +relationship: has_part CHEBI:62944 ! sialic acid anion +property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H17NO9R" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "307.254" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "307.09033" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "*O[C@]1(O[C@]([C@@H]([C@H](C1)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)[O-]" xsd:string + [Term] id: CHEBI:23213 name: choline ester @@ -52807,6 +53345,15 @@ synonym: "magnesium molecular entity" EXACT [ChEBI] is_a: CHEBI:33299 ! alkaline earth molecular entity relationship: has_part CHEBI:25107 ! magnesium atom +[Term] +id: CHEBI:25111 +name: magnesium porphyrin +namespace: chebi_ontology +subset: 3_STAR +synonym: "magnesium porphyrins" RELATED [ChEBI] +is_a: CHEBI:25216 ! metalloporphyrin +is_a: CHEBI:38251 ! magnesium tetrapyrrole + [Term] id: CHEBI:25115 name: malate @@ -53995,6 +54542,26 @@ namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:26375 ! pterins +[Term] +id: CHEBI:25501 +name: neoxanthin +namespace: chebi_ontology +def: "An epoxycarotenoid that is 6,7-didehydro-5,5',6,6'-tetrahydro-5',6'-epoxy-beta,beta-carotene which is substituted by hydroxy groups at the 3, 3', and 5 positions." [] +subset: 3_STAR +synonym: "all-trans-Neoxanthin" RELATED [KEGG_COMPOUND] +xref: CAS:30743-41-0 {source="KEGG COMPOUND"} +xref: KEGG:C08606 +xref: KNApSAcK:C00003780 +is_a: CHEBI:35307 ! epoxycarotenol +is_a: CHEBI:37602 ! allenes +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C40H56O4" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/t22-,33-,34-,38+,39+,40-/m0/s1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PGYAYSRVSAJXTE-QLIYCPSBSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "600.87020" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "600.41786" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=CC([H])=C(C)C([H])=CC([H])=C(C)C([H])=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)C=C(C)C=C([H])C=C(C)C=C([H])[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C" xsd:string + [Term] id: CHEBI:25506 name: neuraminates @@ -55086,6 +55653,76 @@ subset: 3_STAR synonym: "oxopurines" RELATED [ChEBI] is_a: CHEBI:26401 ! purines +[Term] +id: CHEBI:25812 +name: ozone +namespace: chebi_ontology +def: "An elemental molecule with formula O3. An explosive, pale blue gas (b.p. -112degreeC) that has a characteristic, pungent odour, it is continuously produced in the upper atmosphere by the action of solar ultraviolet radiation on atmospheric oxygen. It is an antimicrobial agent used in the production of bottled water, as well as in the treatment of meat, poultry and other foodstuffs." [] +subset: 3_STAR +synonym: "[OO2]" RELATED [MolBase] +synonym: "O3" RELATED [ChEBI] +synonym: "O3" RELATED [IUPAC] +synonym: "Ozon" RELATED [ChEBI] +synonym: "ozone" EXACT [ChEBI] +synonym: "ozone" EXACT IUPAC_NAME [IUPAC] +synonym: "ozono" RELATED [ChEBI] +synonym: "trioxygen" EXACT IUPAC_NAME [IUPAC] +synonym: "trioxygene" RELATED [ChEBI] +synonym: "Trisauerstoff" RELATED [ChEBI] +xref: CAS:10028-15-6 {source="NIST Chemistry WebBook"} +xref: CAS:10028-15-6 {source="ChemIDplus"} +xref: Gmelin:1101 {source="Gmelin"} +xref: HMDB:HMDB0035409 +xref: MolBase:931 +xref: PMID:10205911 {source="Europe PMC"} +xref: PMID:10226494 {source="Europe PMC"} +xref: PMID:10552743 {source="Europe PMC"} +xref: PMID:11029342 {source="Europe PMC"} +xref: PMID:11203434 {source="Europe PMC"} +xref: PMID:11568152 {source="Europe PMC"} +xref: PMID:12509241 {source="Europe PMC"} +xref: PMID:15598576 {source="Europe PMC"} +xref: PMID:15963550 {source="Europe PMC"} +xref: PMID:1717074 {source="Europe PMC"} +xref: PMID:17674823 {source="Europe PMC"} +xref: PMID:18250191 {source="Europe PMC"} +xref: PMID:18699586 {source="Europe PMC"} +xref: PMID:19519548 {source="Europe PMC"} +xref: PMID:19580672 {source="Europe PMC"} +xref: PMID:19723209 {source="Europe PMC"} +xref: PMID:19827485 {source="Europe PMC"} +xref: PMID:20477724 {source="Europe PMC"} +xref: PMID:23488636 {source="Europe PMC"} +xref: PMID:23501341 {source="Europe PMC"} +xref: PMID:23517299 {source="Europe PMC"} +xref: PMID:23556239 {source="Europe PMC"} +xref: PMID:24001808 {source="Europe PMC"} +xref: PMID:24176344 {source="Europe PMC"} +xref: PMID:24188305 {source="Europe PMC"} +xref: PMID:7763188 {source="Europe PMC"} +xref: PMID:8255146 {source="Europe PMC"} +xref: PMID:9202716 {source="Europe PMC"} +xref: Reaxys:4921393 {source="Reaxys"} +xref: Wikipedia: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 +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "O3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/O3/c1-3-2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CBENFWSGALASAD-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "47.99820" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "47.98474" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-][O+]=O" xsd:string + [Term] id: CHEBI:25813 name: p-N,N-bis(2-chloroethyl)aminophenylvaleric acid @@ -55805,6 +56442,18 @@ synonym: "polyene antibiotics" RELATED [ChEBI] is_a: CHEBI:33822 ! organic hydroxy compound relationship: has_role CHEBI:33281 ! antimicrobial agent +[Term] +id: CHEBI:26178 +name: polyester macromolecule +namespace: chebi_ontology +def: "A macromolecule composed of units connected by carboxylic ester (-O-CO-) linkages." [] +subset: 3_STAR +synonym: "polyester" RELATED [ChEBI] +synonym: "polyesters" RELATED [ChEBI] +xref: Beilstein:8192505 {source="Beilstein"} +is_a: CHEBI:33839 ! macromolecule +is_a: CHEBI:35701 ! ester + [Term] id: CHEBI:26179 name: polyether antibiotic @@ -56903,6 +57552,15 @@ subset: 3_STAR is_a: CHEBI:35352 ! organonitrogen compound relationship: has_part CHEBI:35267 ! quaternary ammonium ion +[Term] +id: CHEBI:26490 +name: quinate +namespace: chebi_ontology +def: "A cyclitol carboxylic acid anion that is conjugate base of quinic acid." [] +subset: 3_STAR +is_a: CHEBI:36125 ! cyclitol carboxylic acid anion +relationship: is_conjugate_base_of CHEBI:26493 ! quinic acid + [Term] id: CHEBI:26491 name: quinhydrone @@ -56928,6 +57586,19 @@ property_value: http://purl.obolibrary.org/obo/chebi/mass "218.20540" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "218.05791" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccc(O)cc1.O=C1C=CC(=O)C=C1" xsd:string +[Term] +id: CHEBI:26493 +name: quinic acid +namespace: chebi_ontology +def: "A cyclitol carboxylic acid." [] +subset: 3_STAR +xref: PMID:15589483 {source="Europe PMC"} +xref: PMID:19952409 {source="Europe PMC"} +xref: PMID:23590498 {source="Europe PMC"} +is_a: CHEBI:36123 ! cyclitol carboxylic acid +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: is_conjugate_acid_of CHEBI:26490 ! quinate + [Term] id: CHEBI:26508 name: quinoline N-oxide @@ -57454,6 +58125,35 @@ is_a: CHEBI:23357 ! cofactor is_a: CHEBI:24028 ! iron(3+) chelator is_a: CHEBI:24874 ! iron ionophore +[Term] +id: CHEBI:26675 +name: silicic acid +namespace: chebi_ontology +subset: 3_STAR +synonym: "[Si(OH)4]" RELATED [IUPAC] +synonym: "H4SiO4" RELATED [IUPAC] +synonym: "Kieselsaeure" RELATED [ChEBI] +synonym: "monosilicic acid" RELATED [ChemIDplus] +synonym: "Orthokieselsaeure" RELATED [ChEBI] +synonym: "orthosilicic acid" RELATED [ChemIDplus] +synonym: "silanetetrol" EXACT IUPAC_NAME [IUPAC] +synonym: "silicic acid" EXACT IUPAC_NAME [IUPAC] +synonym: "silicon tetrahydroxide" RELATED [ChemIDplus] +synonym: "tetrahydroxidosilicon" EXACT IUPAC_NAME [IUPAC] +synonym: "tetrahydroxysilane" RELATED [ChemIDplus] +xref: CAS:10193-36-9 {source="ChemIDplus"} +xref: Gmelin:2009 {source="Gmelin"} +xref: UM-BBD_compID:c0577 {source="UM-BBD"} +is_a: CHEBI:33328 ! silicon oxoacid +relationship: is_conjugate_acid_of CHEBI:48125 ! trihydrogensilicate(1-) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "H4O4Si" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H4O4Si/c1-5(2,3)4/h1-4H" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RMAQACBXLXPBSY-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "96.11486" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "95.98789" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[Si](O)(O)O" xsd:string + [Term] id: CHEBI:26677 name: silicon molecular entity @@ -59133,6 +59833,29 @@ xref: PMID:5322381 {source="Europe PMC"} is_a: CHEBI:35366 ! fatty acid relationship: is_conjugate_acid_of CHEBI:2580 ! unsaturated fatty acid anion +[Term] +id: CHEBI:27214 +name: uranium atom +namespace: chebi_ontology +subset: 3_STAR +synonym: "92U" RELATED [IUPAC] +synonym: "U" RELATED [IUPAC] +synonym: "Uran" RELATED [ChEBI] +synonym: "uranio" RELATED [ChEBI] +synonym: "uranium" EXACT IUPAC_NAME [IUPAC] +synonym: "uranium" RELATED [ChEBI] +xref: CAS:7440-61-1 {source="ChemIDplus"} +xref: WebElements:U +is_a: CHEBI:33320 ! actinoid atom +is_a: CHEBI:33562 ! f-block element atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "U" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/U" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JFALSRSLKYAFGM-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "238.02890" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "238.05079" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[U]" xsd:string + [Term] id: CHEBI:27216 name: urate(2-) @@ -59387,6 +60110,19 @@ property_value: http://purl.obolibrary.org/obo/chebi/mass "87.07734" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "87.03203" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=O)OC=C" xsd:string +[Term] +id: CHEBI:27295 +name: violaxanthin +namespace: chebi_ontology +def: "An epoxycarotenol that is 5,5',6,6'-tetrahydro-5,6:5',6'-diepoxy-beta,beta-carotene substituted by hydroxy groups at positions 3 and 3'. It is the naturally occurring xanthophyll pigment found in a variety of plants." [] +subset: 3_STAR +is_a: CHEBI:35307 ! epoxycarotenol +relationship: has_role CHEBI:76924 ! plant metabolite +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C40H56O4" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "600.872" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "600.41786" xsd:string + [Term] id: CHEBI:27300 name: vitamin D @@ -62655,6 +63391,41 @@ property_value: http://purl.obolibrary.org/obo/chebi/mass "399.443" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "399.16819" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC1=CC2=C(C(OC)=C1OC)C1=CC=C(OC)C(=O)C=C1[C@H](CC2)NC(C)=O" xsd:string +[Term] +id: CHEBI:27888 +name: chlorophyll b +namespace: chebi_ontology +alt_id: CHEBI:23158 +alt_id: CHEBI:3632 +alt_id: CHEBI:48802 +subset: 3_STAR +synonym: "(SP-4-2)-((2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl (3S,4S,21R)-9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(2-)-kappaN(23),kappaN(24),kappaN(25),kappaN(26))-magnesium" RELATED [ChemIDplus] +synonym: "[methyl (3S,4S,21R)-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)phorbine-21-carboxylatato(2-)-kappa(4)N(23),N(24),N(25),N(26)]magnesium" EXACT IUPAC_NAME [IUPAC] +synonym: "CHLOROPHYLL B" EXACT [PDBeChem] +synonym: "Chlorophyll b" EXACT [KEGG_COMPOUND] +synonym: "chlorophyll b" EXACT [JCBN] +xref: Beilstein:1208909 {source="Beilstein"} +xref: Beilstein:4651995 {source="Beilstein"} +xref: CAS:519-62-0 {source="ChemIDplus"} +xref: CAS:519-62-0 {source="KEGG COMPOUND"} +xref: COMe:MOL000004 +xref: Gmelin:632951 {source="Gmelin"} +xref: KEGG:C05307 +xref: KNApSAcK:C00007376 +xref: PDBeChem:CHL +is_a: CHEBI:28966 ! chlorophyll +relationship: has_functional_parent CHEBI:38209 ! chlorophyllide b +relationship: has_role CHEBI:23357 ! cofactor +relationship: is_conjugate_acid_of CHEBI:61721 ! chlorophyll b(1-) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C55H70MgN4O6" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C55H71N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-33,36,40,51H,1,13-24,26H2,2-11H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b34-25+;/t32-,33-,36+,40+,51-;/m1./s1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NSMUHPMZFPKNMZ-VBYMZDBQSA-M" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "907.47266" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "907.47300" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "906.51458" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC1=C(C=O)C2=Cc3c(C=C)c(C)c4C=C5[C@@H](C)[C@H](CCC(=O)OC\\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C6=[N+]5[Mg--]5(n34)n3c(=CC1=[N+]25)c(C)c1C(=O)[C@H](C(=O)OC)C6=c31" xsd:string + [Term] id: CHEBI:27889 name: lead(0) @@ -65505,6 +66276,43 @@ property_value: http://purl.obolibrary.org/obo/chebi/mass "75.07002" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "75.04326" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NNC(N)=O" xsd:string +[Term] +id: CHEBI:28315 +name: alloxanthine +namespace: chebi_ontology +alt_id: CHEBI:22360 +alt_id: CHEBI:2603 +def: "A pyrazolopyrimidine that is 4,5,6,7-tetrahydro-H-pyrazolo[3,4-d]pyrimidine substituted by oxo groups at positions 4 and 6." [] +subset: 3_STAR +synonym: "1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione" EXACT IUPAC_NAME [IUPAC] +synonym: "Alloxanthine" EXACT [KEGG_COMPOUND] +synonym: "Oxipurinol" RELATED [KEGG_COMPOUND] +synonym: "Oxoallopurinol" RELATED [ChemIDplus] +synonym: "Oxypurinol" RELATED [KEGG_COMPOUND] +xref: Beilstein:139956 {source="Beilstein"} +xref: BPDB:2154 +xref: CAS:2465-59-0 {source="ChemIDplus"} +xref: CAS:2465-59-0 {source="KEGG COMPOUND"} +xref: HMDB:HMDB0000786 +xref: KEGG:C07599 +xref: KEGG:D02365 +xref: PMID:18484017 {source="Europe PMC"} +xref: PMID:23751350 {source="Europe PMC"} +xref: PMID:24184830 {source="Europe PMC"} +xref: PMID:24591375 {source="Europe PMC"} +xref: Reaxys:139956 {source="Reaxys"} +xref: Wikipedia:Oxypurinol +is_a: CHEBI:38669 ! pyrazolopyrimidine +relationship: has_role CHEBI:35634 ! EC 1.17.3.2 (xanthine oxidase) inhibitor +relationship: has_role CHEBI:49103 ! drug metabolite +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H4N4O2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HXNFUBHNUDHIGC-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "152.11090" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "152.03343" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=c1[nH]c2[nH]ncc2c(=O)[nH]1" xsd:string + [Term] id: CHEBI:28328 name: D-galactosamine @@ -68072,6 +68880,23 @@ property_value: http://purl.obolibrary.org/obo/chebi/mass "135.14050" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "135.04515" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cccc(c1)C([O-])=O" xsd:string +[Term] +id: CHEBI:28798 +name: rubber particle +namespace: chebi_ontology +alt_id: CHEBI:26584 +alt_id: CHEBI:8905 +def: "A polymer consisting of cis-linked prenyl units." [] +subset: 3_STAR +synonym: "Rubber" RELATED [KEGG_COMPOUND] +synonym: "Rubber (all-cis)" RELATED [KEGG_COMPOUND] +synonym: "Rubber particle" EXACT [KEGG_COMPOUND] +xref: KEGG:C02321 +is_a: CHEBI:60027 ! polymer +relationship: has_part CHEBI:53406 ! cis-1,4-polyisoprene +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "(C5H8)n.H2" xsd:string + [Term] id: CHEBI:28800 name: N-acetylgalactosamine @@ -69329,6 +70154,7 @@ xref: PMID:16158191 {source="Europe PMC"} xref: PMID:2088646 {source="Europe PMC"} xref: Wikipedia:Ganglioside is_a: CHEBI:17761 ! ceramide +is_a: CHEBI:231691 ! sialylglycoconjugate anion is_a: CHEBI:36526 ! acidic glycosphingolipid [Term] @@ -70062,6 +70888,32 @@ property_value: http://purl.obolibrary.org/obo/chebi/mass "88.019" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "87.97966" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)[*]C([O-])=O" xsd:string +[Term] +id: CHEBI:28966 +name: chlorophyll +namespace: chebi_ontology +alt_id: CHEBI:13973 +alt_id: CHEBI:23161 +alt_id: CHEBI:3630 +alt_id: CHEBI:3635 +def: "A family of magnesium porphyrins, defined by the presence of a fifth ring beyond the four pyrrole-like rings. The rings can have various side chains which usually include a long phytol chain." [] +subset: 3_STAR +synonym: "Chlorophyll" EXACT [KEGG_COMPOUND] +synonym: "chlorophyll" EXACT [JCBN] +synonym: "chlorophylls" EXACT IUPAC_NAME [IUPAC] +xref: CAS:1406-65-1 {source="KEGG COMPOUND"} +xref: CAS:1406-65-1 {source="ChemIDplus"} +xref: COMe:MOL000012 +xref: KEGG:C01793 +xref: PMID:29286160 {source="Europe PMC"} +is_a: CHEBI:25111 ! magnesium porphyrin +relationship: is_conjugate_acid_of CHEBI:139291 ! chlorophyll(1-) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C49H58MgN4O5R4" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "807.316" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "806.42576" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=2N3C(C=C4[N+]5=C(C=C6N7C8=C(C9=[N+](C(=C1)[C@H]([C@@H]9CCC(OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)\\C)=O)C)[Mg-2]735)[C@H](C(C8=C6C)=O)C(=O)OC)C(=C4*)*)=C(C2*)*" xsd:string + [Term] id: CHEBI:28971 name: ampicillin @@ -71868,6 +72720,31 @@ property_value: http://purl.obolibrary.org/obo/chebi/mass "3.016" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "3.01605" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[3H]" xsd:string +[Term] +id: CHEBI:29241 +name: silicate(4-) +namespace: chebi_ontology +subset: 3_STAR +synonym: "[SiO4](4-)" RELATED [IUPAC] +synonym: "orthosilicate" RELATED [ChEBI] +synonym: "Orthosilikat" RELATED [ChEBI] +synonym: "silicate" EXACT IUPAC_NAME [IUPAC] +synonym: "Silikat" RELATED [ChEBI] +synonym: "SiO4(4-)" RELATED [IUPAC] +synonym: "tetraoxidosilicate(4-)" EXACT IUPAC_NAME [IUPAC] +xref: CAS:17181-37-2 {source="ChemIDplus"} +xref: Gmelin:2005 {source="Gmelin"} +xref: MolBase:1838 +is_a: CHEBI:48123 ! silicate ion +relationship: is_conjugate_base_of CHEBI:48122 ! hydrogensilicate(3-) +property_value: http://purl.obolibrary.org/obo/chebi/charge "-4" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "O4Si" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/O4Si/c1-5(2,3)4/q-4" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BPQQTUXANYXVAA-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "92.08310" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "91.95878" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-][Si]([O-])([O-])[O-]" xsd:string + [Term] id: CHEBI:29242 name: arsenite(1-) @@ -74345,6 +75222,36 @@ property_value: http://purl.obolibrary.org/obo/chebi/mass "116.07216" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "116.01206" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)CCC([O-])=O" xsd:string +[Term] +id: CHEBI:30033 +name: bacteriochlorophyll a +namespace: chebi_ontology +alt_id: CHEBI:22685 +alt_id: CHEBI:2974 +subset: 3_STAR +synonym: "[methyl (3S,4S,13R,14R,21R)-9-acetyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-13,14-dihydrophorbine-21-carboxylatato(2-)-kappa4N(23),N(24),N(25),N(26)]magnesium" EXACT IUPAC_NAME [IUPAC] +synonym: "Bacterio-chlorophyll a" RELATED [KEGG_COMPOUND] +synonym: "BACTERIOCHLOROPHYLL A" EXACT [PDBeChem] +synonym: "bacteriochlorophyll a" EXACT [JCBN] +xref: Beilstein:1208938 {source="Beilstein"} +xref: Beilstein:6048929 {source="Beilstein"} +xref: CAS:17499-98-8 {source="ChemIDplus"} +xref: COMe:MOL000001 +xref: DrugBank:DB01853 +xref: Gmelin:1489014 {source="Gmelin"} +xref: KEGG:C11242 +xref: PDBeChem:BCL +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:38201 ! bacteriochlorophyll +relationship: is_conjugate_acid_of CHEBI:61720 ! bacteriochlorophyll a(1-) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C55H74MgN4O6" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C55H75N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3;/h25,27-32,34-35,39-40,51H,13-24,26H2,1-12H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b33-25+;/t31-,32-,34-,35+,39-,40+,51-;/m1./s1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DSJXIQQMORJERS-AGGZHOMASA-M" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "911.50400" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "910.54588" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC[C@@H]1[C@@H](C)C2=Cc3c(C(C)=O)c(C)c4C=C5[C@@H](C)[C@H](CCC(=O)OC\\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C6=[N+]5[Mg--]5(n34)n3c(=CC1=[N+]25)c(C)c1C(=O)[C@H](C(=O)OC)C6=c31" xsd:string + [Term] id: CHEBI:30045 name: divanadium pentaoxide @@ -74988,6 +75895,27 @@ property_value: http://purl.obolibrary.org/obo/chebi/mass "65.39000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "63.92914" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Zn]" xsd:string +[Term] +id: CHEBI:30187 +name: aluminium oxide +namespace: chebi_ontology +subset: 3_STAR +synonym: "Al2O3" RELATED [IUPAC] +synonym: "alumina" RELATED [NIST_Chemistry_WebBook] +synonym: "aluminium(III) oxide" EXACT IUPAC_NAME [IUPAC] +synonym: "Aluminiumoxid" RELATED [ChEBI] +synonym: "aluminum oxide" RELATED [ChemIDplus] +synonym: "dialuminium trioxide" EXACT IUPAC_NAME [IUPAC] +synonym: "Tonerde" RELATED [ChEBI] +xref: CAS:1344-28-1 {source="ChemIDplus"} +xref: CAS:1344-28-1 {source="NIST Chemistry WebBook"} +xref: Gmelin:11099 {source="Gmelin"} +is_a: CHEBI:33623 ! aluminium oxides +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "Al2O3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "101.961" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "101.94782" xsd:string + [Term] id: CHEBI:30199 name: trioxidosilicate(.1-) @@ -75055,6 +75983,50 @@ property_value: http://purl.obolibrary.org/obo/chebi/mass "4.00260" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "4.00260" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[He]" xsd:string +[Term] +id: CHEBI:30218 +name: helium-3 atom +namespace: chebi_ontology +def: "The stable isotope of helium with relative atomic mass 3.016029. The least abundant (0.000137 atom percent) isotope of naturally occurring helium." [] +subset: 3_STAR +synonym: "(3)2He" RELATED [IUPAC] +synonym: "(3)He" RELATED [IUPAC] +synonym: "(3He)helium" RELATED [ChemIDplus] +synonym: "helium, isotope of mass 3" RELATED [ChemIDplus] +synonym: "helium-3" EXACT IUPAC_NAME [IUPAC] +synonym: "helium-3" RELATED [ChEBI] +xref: CAS:14762-55-1 {source="ChemIDplus"} +xref: Gmelin:14208 {source="Gmelin"} +is_a: CHEBI:30217 ! helium atom +relationship: has_part CHEBI:30220 ! helion +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[3He]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/He/i1-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SWQJXJOGLNCZEY-BJUDXGSMSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "3.016" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "3.01603" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[3He]" xsd:string + +[Term] +id: CHEBI:30220 +name: helion +namespace: chebi_ontology +def: "Nucleus of the (3)He atom." [] +subset: 3_STAR +synonym: "(3)He(2+)" RELATED [IUPAC] +synonym: "h" RELATED [IUPAC] +synonym: "helion" EXACT IUPAC_NAME [IUPAC] +synonym: "helium-3(2+)" EXACT IUPAC_NAME [IUPAC] +is_a: CHEBI:33252 ! atomic nucleus +is_a: CHEBI:33316 ! helium(2+) +property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[3He]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/He/q+2/i1-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LBDSXVIYZYSRII-BJUDXGSMSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "3.015" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "3.01493" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[3He++]" xsd:string + [Term] id: CHEBI:30231 name: nitrogen trifluoride @@ -76268,6 +77240,44 @@ property_value: http://purl.obolibrary.org/obo/chebi/mass "108.05961" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "107.96568" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "FS(F)(F)F" xsd:string +[Term] +id: CHEBI:30496 +name: sulfur hexafluoride +namespace: chebi_ontology +def: "A sulfur coordination entity consisting of six fluorine atoms attached to a central sulfur atom. It is the most potent greenhouse gas currently known, with a global warming potential of 23,900 times that of CO2 over a 100 year period (SF6 has an estimated lifetime in the atmosphere of between 800 and 3,000 years)." [] +subset: 3_STAR +synonym: "[SF6]" RELATED [MolBase] +synonym: "hexafluoridosulfur" EXACT IUPAC_NAME [IUPAC] +synonym: "SF6" RELATED [IUPAC] +synonym: "Sonovue" RELATED BRAND_NAME [KEGG_DRUG] +synonym: "sulfur hexafluoride" EXACT IUPAC_NAME [IUPAC] +synonym: "sulfur(6+) fluoride" EXACT IUPAC_NAME [IUPAC] +synonym: "sulfur(VI) fluoride" EXACT IUPAC_NAME [IUPAC] +xref: CAS:2551-62-4 {source="ChemIDplus"} +xref: CAS:2551-62-4 {source="NIST Chemistry WebBook"} +xref: Drug_Central:4039 {source="DrugCentral"} +xref: Gmelin:2752 {source="Gmelin"} +xref: KEGG:D05962 +xref: MolBase:971 +xref: PMID:25459612 {source="Europe PMC"} +xref: PMID:25559529 {source="Europe PMC"} +xref: PMID:25607376 {source="Europe PMC"} +xref: PMID:25647411 {source="Europe PMC"} +xref: PMID:25660738 {source="Europe PMC"} +xref: Reaxys:7247840 {source="Reaxys"} +xref: Wikipedia:Sulfur_hexafluoride +is_a: CHEBI:50094 ! sulfur coordination entity +relationship: has_role CHEBI:228364 ! NMR chemical shift reference compound +relationship: has_role CHEBI:37337 ! ultrasound contrast agent +relationship: has_role CHEBI:76413 ! greenhouse gas +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "F6S" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/F6S/c1-7(2,3,4,5)6" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SFZCNBIFKDRMGX-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "146.050" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "145.96249" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "FS(F)(F)(F)(F)F" xsd:string + [Term] id: CHEBI:30501 name: beryllium atom @@ -85180,6 +86190,29 @@ synonym: "amides" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C00241 is_a: CHEBI:51143 ! nitrogen molecular entity +[Term] +id: CHEBI:32999 +name: europium atom +namespace: chebi_ontology +subset: 3_STAR +synonym: "63Eu" RELATED [IUPAC] +synonym: "Eu" RELATED [IUPAC] +synonym: "europio" RELATED [ChEBI] +synonym: "europium" EXACT IUPAC_NAME [IUPAC] +synonym: "europium" RELATED [ChEBI] +xref: CAS:7440-53-1 {source="ChemIDplus"} +xref: Gmelin:16279 {source="Gmelin"} +xref: WebElements:Eu +is_a: CHEBI:33319 ! lanthanoid atom +is_a: CHEBI:33562 ! f-block element atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "Eu" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Eu" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OGPBJKLSAFTDLK-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "151.96400" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "152.92124" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Eu]" xsd:string + [Term] id: CHEBI:33007 name: chromium(6+) @@ -86398,6 +87431,13 @@ property_value: http://purl.obolibrary.org/obo/chebi/formula "O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "31.999" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "31.98983" xsd:string +[Term] +id: CHEBI:33265 +name: triatomic oxygen +namespace: chebi_ontology +subset: 1_STAR +is_a: CHEBI:33262 ! elemental oxygen + [Term] id: CHEBI:33266 name: diatomic nitrogen @@ -86791,6 +87831,36 @@ property_value: http://purl.obolibrary.org/obo/chebi/mass "222.00000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "222.00000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Rn]" xsd:string +[Term] +id: CHEBI:33315 +name: monoatomic helium +namespace: chebi_ontology +subset: 3_STAR +synonym: "elemental helium" RELATED [ChEBI] +is_a: CHEBI:33238 ! monoatomic entity +is_a: CHEBI:33680 ! elemental helium +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "He" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "4.003" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "4.00260" xsd:string + +[Term] +id: CHEBI:33316 +name: helium(2+) +namespace: chebi_ontology +subset: 3_STAR +synonym: "He(2+)" RELATED [IUPAC] +synonym: "helium(2+)" EXACT IUPAC_NAME [IUPAC] +is_a: CHEBI:30412 ! monoatomic dication +is_a: CHEBI:33315 ! monoatomic helium +property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "He" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/He/q+2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LBDSXVIYZYSRII-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "4.00260" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "4.00151" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[He++]" xsd:string + [Term] id: CHEBI:33317 name: boron group element atom @@ -86815,6 +87885,22 @@ synonym: "main group element" RELATED [ChEBI] synonym: "main group elements" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33250 ! atom +[Term] +id: CHEBI:33319 +name: lanthanoid atom +namespace: chebi_ontology +subset: 3_STAR +synonym: "lanthanide" RELATED [ChEBI] +synonym: "lanthanides" RELATED [ChEBI] +synonym: "Lanthanoid" RELATED [ChEBI] +synonym: "lanthanoid" RELATED [ChEBI] +synonym: "Lanthanoide" RELATED [ChEBI] +synonym: "Lanthanoidengruppe" RELATED [ChEBI] +synonym: "Lanthanoidenreiche" RELATED [ChEBI] +synonym: "lanthanoids" EXACT IUPAC_NAME [IUPAC] +synonym: "Ln" RELATED [ChEBI] +is_a: CHEBI:33321 ! rare earth metal atom + [Term] id: CHEBI:33320 name: actinoid atom @@ -86833,6 +87919,15 @@ synonym: "Aktinoidenelemente" RELATED [ChEBI] synonym: "An" RELATED [ChEBI] is_a: CHEBI:33562 ! f-block element atom +[Term] +id: CHEBI:33321 +name: rare earth metal atom +namespace: chebi_ontology +subset: 3_STAR +synonym: "rare earth metal" RELATED [ChEBI] +synonym: "rare earth metals" EXACT IUPAC_NAME [IUPAC] +is_a: CHEBI:27081 ! transition element atom + [Term] id: CHEBI:33324 name: strontium atom @@ -86865,6 +87960,18 @@ synonym: "silicon oxides" RELATED [ChEBI] is_a: CHEBI:24836 ! inorganic oxide is_a: CHEBI:26677 ! silicon molecular entity +[Term] +id: CHEBI:33328 +name: silicon oxoacid +namespace: chebi_ontology +subset: 3_STAR +synonym: "oxoacids of silicon" RELATED [ChEBI] +synonym: "silicic acids" RELATED [ChEBI] +synonym: "silicon oxoacids" RELATED [ChEBI] +is_a: CHEBI:24833 ! oxoacid +is_a: CHEBI:46890 ! silicon hydroxide +relationship: has_role CHEBI:138103 ! inorganic acid + [Term] id: CHEBI:33329 name: silicon hydride @@ -86875,6 +87982,68 @@ synonym: "silicon hydrides" RELATED [ChEBI] is_a: CHEBI:26677 ! silicon molecular entity is_a: CHEBI:33242 ! inorganic hydride +[Term] +id: CHEBI:33331 +name: yttrium atom +namespace: chebi_ontology +subset: 3_STAR +synonym: "39Y" RELATED [IUPAC] +synonym: "Y" RELATED [ChEBI] +synonym: "ytrio" RELATED [ChEBI] +synonym: "yttrium" EXACT IUPAC_NAME [IUPAC] +synonym: "yttrium" RELATED [ChEBI] +xref: CAS:7440-65-5 {source="ChemIDplus"} +xref: CAS:7440-65-5 {source="NIST Chemistry WebBook"} +xref: Gmelin:16319 {source="Gmelin"} +xref: WebElements:Y +is_a: CHEBI:33321 ! rare earth metal atom +is_a: CHEBI:33335 ! scandium group element atom +is_a: CHEBI:33561 ! d-block element atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "Y" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Y" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VWQVUPCCIRVNHF-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "88.90585" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "88.90584" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Y]" xsd:string + +[Term] +id: CHEBI:33335 +name: scandium group element atom +namespace: chebi_ontology +subset: 3_STAR +synonym: "group 3 elements" EXACT IUPAC_NAME [IUPAC] +synonym: "scandium group element" RELATED [ChEBI] +synonym: "scandium group elements" RELATED [ChEBI] +is_a: CHEBI:27081 ! transition element atom + +[Term] +id: CHEBI:33336 +name: lanthanum atom +namespace: chebi_ontology +subset: 3_STAR +synonym: "57La" RELATED [IUPAC] +synonym: "La" RELATED [ChEBI] +synonym: "lantano" RELATED [ChEBI] +synonym: "Lanthan" RELATED [ChEBI] +synonym: "lanthane" RELATED [ChEBI] +synonym: "lanthanum" EXACT IUPAC_NAME [IUPAC] +synonym: "lanthanum" RELATED [ChEBI] +xref: CAS:7439-91-0 {source="NIST Chemistry WebBook"} +xref: CAS:7439-91-0 {source="ChemIDplus"} +xref: Gmelin:16203 {source="Gmelin"} +xref: WebElements:La +is_a: CHEBI:33319 ! lanthanoid atom +is_a: CHEBI:33335 ! scandium group element atom +is_a: CHEBI:33562 ! f-block element atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "La" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/La" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FZLIPJUXYLNCLC-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "138.90550" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "138.90636" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[La]" xsd:string + [Term] id: CHEBI:33338 name: aryl group @@ -86968,6 +88137,31 @@ property_value: http://purl.obolibrary.org/obo/chebi/mass "178.49000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "179.94656" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Hf]" xsd:string +[Term] +id: CHEBI:33344 +name: niobium atom +namespace: chebi_ontology +subset: 3_STAR +synonym: "41Nb" RELATED [IUPAC] +synonym: "columbio" RELATED [ChEBI] +synonym: "columbium" RELATED [NIST_Chemistry_WebBook] +synonym: "Nb" RELATED [IUPAC] +synonym: "Niob" RELATED [ChEBI] +synonym: "niobio" RELATED [ChEBI] +synonym: "niobium" EXACT IUPAC_NAME [IUPAC] +synonym: "niobium" RELATED [ChEBI] +xref: CAS:7440-03-1 {source="NIST Chemistry WebBook"} +xref: CAS:7440-03-1 {source="ChemIDplus"} +xref: WebElements:Nb +is_a: CHEBI:33347 ! vanadium group element atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "Nb" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Nb" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GUCVJGMIXFAOAE-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "92.90638" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "92.90637" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Nb]" xsd:string + [Term] id: CHEBI:33345 name: titanium group element atom @@ -87168,6 +88362,32 @@ synonym: "group 11 elements" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:27081 ! transition element atom is_a: CHEBI:33561 ! d-block element atom +[Term] +id: CHEBI:33369 +name: cerium +namespace: chebi_ontology +subset: 3_STAR +synonym: "58Ce" RELATED [IUPAC] +synonym: "Ce" RELATED [IUPAC] +synonym: "Cer" RELATED [ChEBI] +synonym: "cerio" RELATED [ChEBI] +synonym: "cerium" EXACT IUPAC_NAME [IUPAC] +synonym: "cerium" EXACT [ChEBI] +synonym: "Zer" RELATED [ChEBI] +xref: CAS:7440-45-1 {source="NIST Chemistry WebBook"} +xref: CAS:7440-45-1 {source="ChemIDplus"} +xref: Gmelin:16275 {source="Gmelin"} +xref: WebElements:Ce +is_a: CHEBI:33319 ! lanthanoid atom +is_a: CHEBI:33562 ! f-block element atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "Ce" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ce" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GWXLDORMOJMVQZ-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "140.11600" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "139.90544" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Ce]" xsd:string + [Term] id: CHEBI:33371 name: technetium-99 @@ -87188,6 +88408,104 @@ property_value: http://purl.obolibrary.org/obo/chebi/mass "98.906" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "98.90625" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[99Tc]" xsd:string +[Term] +id: CHEBI:33372 +name: neodymium atom +namespace: chebi_ontology +subset: 3_STAR +synonym: "60Nd" RELATED [IUPAC] +synonym: "Nd" RELATED [IUPAC] +synonym: "neodimio" RELATED [ChEBI] +synonym: "Neodym" RELATED [ChEBI] +synonym: "neodyme" RELATED [ChEBI] +synonym: "neodymium" EXACT IUPAC_NAME [IUPAC] +synonym: "neodymium" RELATED [ChEBI] +xref: CAS:7440-00-8 {source="NIST Chemistry WebBook"} +xref: CAS:7440-00-8 {source="ChemIDplus"} +xref: Gmelin:16212 {source="Gmelin"} +xref: WebElements:Nd +is_a: CHEBI:33319 ! lanthanoid atom +is_a: CHEBI:33562 ! f-block element atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "Nd" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Nd" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QEFYFXOXNSNQGX-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "144.24000" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "141.90773" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Nd]" xsd:string + +[Term] +id: CHEBI:33374 +name: samarium atom +namespace: chebi_ontology +subset: 3_STAR +synonym: "62Sm" RELATED [IUPAC] +synonym: "samario" RELATED [ChEBI] +synonym: "samarium" EXACT IUPAC_NAME [IUPAC] +synonym: "samarium" RELATED [ChEBI] +synonym: "Sm" RELATED [IUPAC] +xref: CAS:7440-19-9 {source="NIST Chemistry WebBook"} +xref: CAS:7440-19-9 {source="ChemIDplus"} +xref: Gmelin:16301 {source="Gmelin"} +xref: WebElements:Sm +is_a: CHEBI:33319 ! lanthanoid atom +is_a: CHEBI:33562 ! f-block element atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "Sm" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Sm" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KZUNJOHGWZRPMI-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "150.36000" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "151.91974" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Sm]" xsd:string + +[Term] +id: CHEBI:33375 +name: gadolinium atom +namespace: chebi_ontology +subset: 3_STAR +synonym: "64Gd" RELATED [IUPAC] +synonym: "gadolinio" RELATED [ChEBI] +synonym: "gadolinium" EXACT IUPAC_NAME [IUPAC] +synonym: "gadolinium" RELATED [ChEBI] +synonym: "Gd" RELATED [IUPAC] +xref: CAS:7440-54-2 {source="NIST Chemistry WebBook"} +xref: CAS:7440-54-2 {source="ChemIDplus"} +xref: Gmelin:16286 {source="Gmelin"} +xref: WebElements:Gd +is_a: CHEBI:33319 ! lanthanoid atom +is_a: CHEBI:33562 ! f-block element atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "Gd" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Gd" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UIWYJDYFSGRHKR-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "157.25000" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "157.92411" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Gd]" xsd:string + +[Term] +id: CHEBI:33377 +name: dysprosium atom +namespace: chebi_ontology +subset: 3_STAR +synonym: "66Dy" RELATED [IUPAC] +synonym: "disprosio" RELATED [ChEBI] +synonym: "Dy" RELATED [IUPAC] +synonym: "dysprosium" EXACT IUPAC_NAME [IUPAC] +synonym: "dysprosium" RELATED [ChEBI] +xref: CAS:7429-91-6 {source="ChemIDplus"} +xref: CAS:7429-91-6 {source="NIST Chemistry WebBook"} +xref: Gmelin:16278 {source="Gmelin"} +xref: WebElements:Dy +is_a: CHEBI:33319 ! lanthanoid atom +is_a: CHEBI:33562 ! f-block element atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "Dy" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Dy" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KBQHZAAAGSGFKK-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "162.50000" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "163.92918" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Dy]" xsd:string + [Term] id: CHEBI:33384 name: L-serine zwitterion @@ -87849,6 +89167,15 @@ synonym: "actinoid molecular entities" RELATED [ChEBI] is_a: CHEBI:33677 ! f-block molecular entity relationship: has_part CHEBI:33320 ! actinoid atom +[Term] +id: CHEBI:33499 +name: uranium molecular entity +namespace: chebi_ontology +subset: 3_STAR +synonym: "uranium molecular entities" RELATED [ChEBI] +is_a: CHEBI:33498 ! actinoid molecular entity +relationship: has_part CHEBI:27214 ! uranium atom + [Term] id: CHEBI:33504 name: alkali metal cation @@ -88700,6 +90027,17 @@ synonym: "aluminum compounds" RELATED [ChEBI] is_a: CHEBI:33581 ! boron group molecular entity relationship: has_part CHEBI:28984 ! aluminium atom +[Term] +id: CHEBI:33623 +name: aluminium oxides +namespace: chebi_ontology +subset: 3_STAR +synonym: "aluminum oxides" RELATED [ChEBI] +synonym: "oxides of aluminium" RELATED [ChEBI] +synonym: "oxides of aluminum" RELATED [ChEBI] +is_a: CHEBI:133331 ! metal oxide +is_a: CHEBI:33620 ! aluminium molecular entity + [Term] id: CHEBI:33624 name: bromophenol @@ -89066,6 +90404,13 @@ is_a: CHEBI:33583 ! noble gas molecular entity is_a: CHEBI:33674 ! s-block molecular entity relationship: has_part CHEBI:30217 ! helium atom +[Term] +id: CHEBI:33680 +name: elemental helium +namespace: chebi_ontology +subset: 3_STAR +is_a: CHEBI:33679 ! helium molecular entity + [Term] id: CHEBI:33692 name: hydrides @@ -96247,6 +97592,15 @@ synonym: "tracer" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33232 ! application relationship: has_part CHEBI:35209 ! label +[Term] +id: CHEBI:35206 +name: isotopic tracer +namespace: chebi_ontology +def: "A tracer which only differs in isotopic composition from the substance to be traced." [] +subset: 3_STAR +synonym: "isotopic tracer" EXACT IUPAC_NAME [IUPAC] +is_a: CHEBI:35204 ! tracer + [Term] id: CHEBI:35208 name: physical tracer @@ -96986,6 +98340,16 @@ synonym: "ortho- and peri-fused polycyclic arenes" RELATED [ChEBI] is_a: CHEBI:33639 ! ortho- and peri-fused compound is_a: CHEBI:33848 ! polycyclic arene +[Term] +id: CHEBI:35307 +name: epoxycarotenol +namespace: chebi_ontology +subset: 3_STAR +synonym: "epoxycarotenoid" RELATED [ChEBI] +synonym: "epoxycarotenols" RELATED [ChEBI] +is_a: CHEBI:23043 ! epoxycarotenoid +is_a: CHEBI:23045 ! carotenol + [Term] id: CHEBI:35312 name: pentoside @@ -102098,6 +103462,24 @@ property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H5NO4" xsd:strin property_value: http://purl.obolibrary.org/obo/chebi/mass "167.119" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "167.02186" xsd:string +[Term] +id: CHEBI:36123 +name: cyclitol carboxylic acid +namespace: chebi_ontology +subset: 3_STAR +synonym: "cyclitol carboxylic acids" RELATED [ChEBI] +is_a: CHEBI:25384 ! monocarboxylic acid +is_a: CHEBI:33598 ! carbocyclic compound +is_a: CHEBI:35868 ! hydroxy monocarboxylic acid + +[Term] +id: CHEBI:36125 +name: cyclitol carboxylic acid anion +namespace: chebi_ontology +subset: 3_STAR +synonym: "cyclitol carboxylic acid anions" RELATED [ChEBI] +is_a: CHEBI:35757 ! monocarboxylic acid anion + [Term] id: CHEBI:36126 name: cyclohexenecarboxylate @@ -105377,6 +106759,48 @@ namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:36919 ! antimony molecular entity +[Term] +id: CHEBI:36927 +name: carbon-14 atom +namespace: chebi_ontology +subset: 3_STAR +synonym: "(14)6C" RELATED [IUPAC] +synonym: "(14)C" RELATED [IUPAC] +synonym: "carbon, isotope of mass 14" RELATED [ChemIDplus] +synonym: "carbon-14" EXACT IUPAC_NAME [IUPAC] +synonym: "carbon-14" RELATED [ChEBI] +xref: CAS:14762-75-5 {source="ChemIDplus"} +xref: Wikipedia:Carbon-14 +is_a: CHEBI:27594 ! carbon atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[14C]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C/i1+2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OKTJSMMVPCPJKN-NJFSPNSNSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "14.003" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "14.00324" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[14C]" xsd:string + +[Term] +id: CHEBI:36928 +name: carbon-13 atom +namespace: chebi_ontology +subset: 3_STAR +synonym: "(13)6C" RELATED [IUPAC] +synonym: "(13)C" RELATED [IUPAC] +synonym: "carbon, isotope of mass 13" RELATED [ChemIDplus] +synonym: "carbon-13" EXACT IUPAC_NAME [IUPAC] +synonym: "carbon-13" RELATED [ChEBI] +synonym: "carbon-13 atom" EXACT [ChemIDplus] +xref: CAS:14762-74-4 {source="ChemIDplus"} +is_a: CHEBI:27594 ! carbon atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[13C]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C/i1+1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OKTJSMMVPCPJKN-OUBTZVSYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "13.003" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "13.00335" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[13C]" xsd:string + [Term] id: CHEBI:36943 name: aryl phosphate @@ -106962,6 +108386,13 @@ namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:37334 ! diagnostic imaging agent +[Term] +id: CHEBI:37337 +name: ultrasound contrast agent +namespace: chebi_ontology +subset: 1_STAR +is_a: CHEBI:37334 ! diagnostic imaging agent + [Term] id: CHEBI:37338 name: radioopaque medium @@ -106998,6 +108429,43 @@ property_value: http://purl.obolibrary.org/obo/chebi/mass "264.03690" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "264.02789" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=[Th]=O" xsd:string +[Term] +id: CHEBI:37349 +name: phosphorus oxide +namespace: chebi_ontology +subset: 3_STAR +synonym: "oxides of phosphorus" RELATED [ChEBI] +synonym: "phosphorus oxides" RELATED [ChEBI] +is_a: CHEBI:26082 ! phosphorus molecular entity + +[Term] +id: CHEBI:37376 +name: tetraphosphorus decaoxide +namespace: chebi_ontology +subset: 3_STAR +synonym: "(P2O5)2" RELATED [NIST_Chemistry_WebBook] +synonym: "2,4,6,8,9,10-hexaoxa-1,3,5,7-tetraphosphatricyclo[3.3.1.1(3,7)]decane 1,3,5,7-tetraoxide" RELATED [ChEBI] +synonym: "diphosphorus pentoxide" RELATED [NIST_Chemistry_WebBook] +synonym: "P4O10" RELATED [IUPAC] +synonym: "Phosphor(V)-oxid" RELATED [ChEBI] +synonym: "phosphoric anhydride" RELATED [NIST_Chemistry_WebBook] +synonym: "Phosphorpentoxid" RELATED [ChEBI] +synonym: "phosphorus pentoxide" RELATED [NIST_Chemistry_WebBook] +synonym: "phosphorus(V) oxide" RELATED [IUPAC] +synonym: "tetraphosphorus decaoxide" EXACT IUPAC_NAME [IUPAC] +synonym: "tricyclo[3.3.1.1(3,7)]tetraphosphoxane 1,3,5,7-tetraoxide" EXACT IUPAC_NAME [IUPAC] +xref: CAS:16752-60-6 {source="NIST Chemistry WebBook"} +xref: CAS:16752-60-6 {source="ChemIDplus"} +xref: Gmelin:4221 {source="Gmelin"} +is_a: CHEBI:37349 ! phosphorus oxide +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "O10P4" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/O10P4/c1-11-5-12(2)8-13(3,6-11)10-14(4,7-11)9-12" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DLYUQMMRRRQYAE-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "283.88904" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "283.84419" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=P12OP3(=O)OP(=O)(O1)OP(=O)(O2)O3" xsd:string + [Term] id: CHEBI:37378 name: phosphorus halide @@ -107087,6 +108555,17 @@ is_a: CHEBI:35722 ! sulfated glycosaminoglycan is_a: CHEBI:37395 ! mucopolysaccharide relationship: has_functional_parent CHEBI:16137 ! chondroitin D-glucuronate +[Term] +id: CHEBI:37403 +name: copper coordination entity +namespace: chebi_ontology +subset: 3_STAR +synonym: "copper coordination compounds" RELATED [ChEBI] +synonym: "copper coordination entities" RELATED [ChEBI] +synonym: "copper coordination entity" EXACT [ChEBI] +is_a: CHEBI:23377 ! copper molecular entity +is_a: CHEBI:33861 ! transition element coordination entity + [Term] id: CHEBI:37404 name: elemental copper @@ -108049,6 +109528,21 @@ xref: Wikipedia:Nitrogen_mustard is_a: CHEBI:35352 ! organonitrogen compound relationship: has_role CHEBI:22333 ! alkylating agent +[Term] +id: CHEBI:37602 +name: allenes +namespace: chebi_ontology +def: "Any olefinic compound having two double bonds from one carbon atom to two others." [] +subset: 3_STAR +synonym: "allenes" EXACT IUPAC_NAME [IUPAC] +synonym: "R2C=C=CR2" RELATED [IUPAC] +is_a: CHEBI:78840 ! olefinic compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C3R4" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "36.03210" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "36.00000" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]C([*])=C=C([*])[*]" xsd:string + [Term] id: CHEBI:37604 name: cis-octadec-9-ene @@ -110660,6 +112154,35 @@ subset: 3_STAR synonym: "aminoalkylpyridines" RELATED [ChEBI] is_a: CHEBI:26421 ! pyridines +[Term] +id: CHEBI:38201 +name: bacteriochlorophyll +namespace: chebi_ontology +alt_id: CHEBI:22687 +alt_id: CHEBI:2977 +def: "Chlorophylls of photosynthetic bacteria." [] +subset: 3_STAR +synonym: "a bacteriochlorophyll" RELATED [UniProt] +synonym: "Bacterio-chlorophylls" RELATED [KEGG_COMPOUND] +synonym: "bacteriochlorophyll" EXACT [JCBN] +synonym: "bacteriochlorophylls" RELATED [ChEBI] +xref: KEGG:C05799 +is_a: CHEBI:28966 ! chlorophyll + +[Term] +id: CHEBI:38206 +name: chlorophyllide +namespace: chebi_ontology +alt_id: CHEBI:13975 +alt_id: CHEBI:23160 +alt_id: CHEBI:3634 +def: "Chlorophylls lacking the terpenoid side chain such as phytyl or farnesyl." [] +subset: 3_STAR +synonym: "Chlorophyllid" RELATED [ChEBI] +synonym: "chlorophyllides" RELATED [ChEBI] +is_a: CHEBI:28966 ! chlorophyll +relationship: is_conjugate_acid_of CHEBI:139292 ! chlorophyllide(2-) + [Term] id: CHEBI:38207 name: aminopyridine @@ -110670,6 +112193,27 @@ synonym: "aminopyridines" RELATED [ChEBI] is_a: CHEBI:26421 ! pyridines is_a: CHEBI:33860 ! aromatic amine +[Term] +id: CHEBI:38209 +name: chlorophyllide b +namespace: chebi_ontology +subset: 3_STAR +synonym: "Chlorophyllid b" RELATED [ChEBI] +synonym: "chlorophyllide b" EXACT [JCBN] +xref: Beilstein:10054580 {source="Beilstein"} +xref: Beilstein:8967487 {source="Beilstein"} +xref: CAS:14428-12-7 {source="ChemIDplus"} +xref: KEGG:C16541 +is_a: CHEBI:38206 ! chlorophyllide +relationship: is_conjugate_acid_of CHEBI:58686 ! chlorophyllide b(1-) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C35H32MgN4O6" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C35H34N4O6.Mg/c1-7-18-15(3)22-11-23-16(4)20(9-10-28(41)42)32(38-23)30-31(35(44)45-6)34(43)29-17(5)24(39-33(29)30)12-26-19(8-2)21(14-40)27(37-26)13-25(18)36-22;/h7,11-14,16,20,31H,1,8-10H2,2-6H3,(H3,36,37,38,39,40,41,42,43);/q;+2/p-2/t16-,20-,31+;/m0./s1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QPDWBRHRBKXUNS-IEEIVXFASA-L" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "628.958" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "628.21723" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=2N3C(C=C4N=C(C=C5N(C6=C(C7=NC(=C1)[C@H]([C@@H]7CCC(O)=O)C)[C@H](C(C6=C5C)=O)C(=O)OC)[Mg]3)C(=C4C(=O)[H])CC)=C(C2C)C=C" xsd:string + [Term] id: CHEBI:38210 name: aminonaphthalenesulfonic acid @@ -110847,6 +112391,39 @@ def: "Any inhibitor of a DNA polymerase." [] subset: 3_STAR is_a: CHEBI:76815 ! EC 2.7.7.* (nucleotidyltransferase) inhibitor +[Term] +id: CHEBI:38251 +name: magnesium tetrapyrrole +namespace: chebi_ontology +subset: 3_STAR +synonym: "magnesium tetrapyrroles" RELATED [ChEBI] +is_a: CHEBI:33909 ! metallotetrapyrrole +is_a: CHEBI:33976 ! magnesium coordination entity + +[Term] +id: CHEBI:38259 +name: divinyl chlorophyllide a +namespace: chebi_ontology +alt_id: CHEBI:14185 +alt_id: CHEBI:29576 +subset: 3_STAR +synonym: "Divinyl chlorophyllide a" EXACT [KEGG_COMPOUND] +synonym: "{3-[(3S,4S,21R)-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9,14-divinylphorbin-3-yl-kappa(4)N(23),N(24),N(25),N(26)]propanoato(2-)}magnesium" RELATED [IUPAC] +synonym: "{3-[(3S,4S,21R)-9,14-diethenyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxophorbin-3-yl-kappa(4)N(23),N(24),N(25),N(26)]propanoato(2-)}magnesium" EXACT IUPAC_NAME [IUPAC] +xref: Beilstein:9984505 {source="Beilstein"} +xref: KEGG:C11832 +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:36244 ! dicarboxylic acid monoester +is_a: CHEBI:38206 ! chlorophyllide +relationship: is_conjugate_acid_of CHEBI:58688 ! divinyl chlorophyllide a(1-) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C35H32MgN4O5" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C35H34N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8-9,12-14,17,21,31H,1-2,10-11H2,3-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-2/t17-,21-,31+;/m0./s1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IQLDSMIBDORHSF-NYABAGMLSA-L" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "612.95700" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "612.22231" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC(=O)[C@H]1C(=O)c2c(C)c3C=C4C(C=C)=C(C)C5=[N+]4[Mg--]46n3c2C1=C1[C@@H](CCC(O)=O)[C@H](C)C(C=c2c(C)c(C=C)c(=C5)n42)=[N+]61" xsd:string + [Term] id: CHEBI:38260 name: pyrrolidines @@ -115606,6 +117183,21 @@ synonym: "hydron acceptor" RELATED [IUPAC] is_a: CHEBI:15339 ! acceptor is_a: CHEBI:22695 ! base +[Term] +id: CHEBI:39143 +name: Lewis acid +namespace: chebi_ontology +def: "A molecular entity that is an electron-pair acceptor and therefore able to form a covalent bond with an electron-pair donor (Lewis base), thereby producing a Lewis adduct." [] +subset: 3_STAR +synonym: "accepteur d'une paire d'electrons" RELATED [IUPAC] +synonym: "acide de Lewis" RELATED [IUPAC] +synonym: "electron acceptor" RELATED [ChEBI] +synonym: "electron-pair acceptor" RELATED [IUPAC] +synonym: "Lewis acid" EXACT IUPAC_NAME [IUPAC] +synonym: "Lewis-Saeure" RELATED [ChEBI] +is_a: CHEBI:15339 ! acceptor +is_a: CHEBI:37527 ! acid + [Term] id: CHEBI:39144 name: Lewis base @@ -116772,6 +118364,55 @@ subset: 3_STAR is_a: CHEBI:37757 ! iodoalkane is_a: CHEBI:39279 ! halomethane +[Term] +id: CHEBI:39285 +name: chloropicrin +namespace: chebi_ontology +def: "A C-nitro compound that is nitromethane in which all three hydrogens are replaced by chlorines. It is a severe irritant, and can cause immediate, severe inflammation of the eyes, nose and throat, and significant injuries to the upper and lower respiratory tract. Formerly stockpiled as a chemical warfare agent, it has been widely used in the US as a soil fumigant, particularly for strawberry crops. It is not approved for use within the European Union." [] +subset: 3_STAR +synonym: "1,1,1-trichloronitromethane" RELATED [NIST_Chemistry_WebBook] +synonym: "CCl3NO2" RELATED [ChEBI] +synonym: "chloropicrin" EXACT [ChemIDplus] +synonym: "Chlorpikrin" RELATED [ChemIDplus] +synonym: "Cl3CNO2" RELATED [ChEBI] +synonym: "Trichlornitromethan" RELATED [NIST_Chemistry_WebBook] +synonym: "trichloro(nitro)methane" EXACT IUPAC_NAME [IUPAC] +synonym: "trichloronitromethane" RELATED [NIST_Chemistry_WebBook] +xref: Beilstein:1756135 {source="ChemIDplus"} +xref: CAS:76-06-2 {source="NIST Chemistry WebBook"} +xref: CAS:76-06-2 {source="ChemIDplus"} +xref: CAS:76-06-2 {source="KEGG COMPOUND"} +xref: Gmelin:240197 {source="Gmelin"} +xref: KEGG:C18445 +xref: Pesticides:chloropicrin {source="Alan Wood's Pesticides"} +xref: PMID:18207489 {source="Europe PMC"} +xref: PMID:19287772 {source="Europe PMC"} +xref: PMID:22516760 {source="Europe PMC"} +xref: PMID:23958081 {source="Europe PMC"} +xref: PMID:24475954 {source="Europe PMC"} +xref: PMID:24548678 {source="Europe PMC"} +xref: PMID:24618853 {source="Europe PMC"} +xref: PMID:25279758 {source="Europe PMC"} +xref: PMID:25531174 {source="Europe PMC"} +xref: PMID:2920227 {source="Europe PMC"} +xref: PMID:3605008 {source="Europe PMC"} +xref: PPDB:148 +xref: Reaxys:1756135 {source="Reaxys"} +xref: Wikipedia:Chloropicrin +is_a: CHEBI:35716 ! C-nitro compound +is_a: CHEBI:36683 ! organochlorine compound +is_a: CHEBI:64708 ! one-carbon compound +relationship: has_role CHEBI:25491 ! nematicide +relationship: has_role CHEBI:39277 ! fumigant insecticide +relationship: has_role CHEBI:86328 ! antifungal agrochemical +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "CCl3NO2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CCl3NO2/c2-1(3,4)5(6)7" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LFHISGNCFUNFFM-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "164.37500" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "162.89946" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-][N+](=O)C(Cl)(Cl)Cl" xsd:string + [Term] id: CHEBI:39287 name: sulfuryl difluoride @@ -122842,6 +124483,14 @@ property_value: http://purl.obolibrary.org/obo/chebi/mass "523.68320" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "523.36379" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(C)=O" xsd:string +[Term] +id: CHEBI:44882 +name: peridinin +namespace: chebi_ontology +subset: 1_STAR +is_a: CHEBI:35307 ! epoxycarotenol +is_a: CHEBI:37602 ! allenes + [Term] id: CHEBI:44884 name: pentan-1-ol @@ -126390,6 +128039,13 @@ property_value: http://purl.obolibrary.org/obo/chebi/mass "45.01744" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.99765" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "*C(=O)O" xsd:string +[Term] +id: CHEBI:46890 +name: silicon hydroxide +namespace: chebi_ontology +subset: 1_STAR +is_a: CHEBI:26677 ! silicon molecular entity + [Term] id: CHEBI:46891 name: azetidinecarboxylic acid @@ -126660,6 +128316,20 @@ synonym: "N-methylpiperazines" RELATED [ChEBI] is_a: CHEBI:46845 ! N-alkylpiperazine is_a: CHEBI:50996 ! tertiary amino compound +[Term] +id: CHEBI:46923 +name: dioxane +namespace: chebi_ontology +def: "Any member of the class of dioxanes that is a cyclohexane in which two carbon atoms are replaced by oxygen atoms." [] +subset: 3_STAR +synonym: "dioxane" EXACT IUPAC_NAME [IUPAC] +is_a: CHEBI:36389 ! saturated organic heteromonocyclic parent +is_a: CHEBI:46926 ! dioxanes +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H8O2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "88.105" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "88.05243" xsd:string + [Term] id: CHEBI:46926 name: dioxanes @@ -127081,6 +128751,56 @@ subset: 3_STAR synonym: "dihydroxytetrahydrofurans" RELATED [ChEBI] is_a: CHEBI:47017 ! tetrahydrofuranol +[Term] +id: CHEBI:47032 +name: 1,4-dioxane +namespace: chebi_ontology +alt_id: CHEBI:34064 +alt_id: CHEBI:41951 +alt_id: CHEBI:46925 +def: "A dioxane with oxygen atoms at positions 1 and 4." [] +subset: 3_STAR +synonym: "1,4-DIETHYLENE DIOXIDE" RELATED [PDBeChem] +synonym: "1,4-dioxacyclohexane" RELATED [ChemIDplus] +synonym: "1,4-Dioxan" RELATED [NIST_Chemistry_WebBook] +synonym: "1,4-Dioxane" EXACT [KEGG_COMPOUND] +synonym: "1,4-dioxane" EXACT IUPAC_NAME [IUPAC] +synonym: "di(ethylene oxide)" RELATED [ChemIDplus] +synonym: "Dioxan-1,4" RELATED [ChemIDplus] +synonym: "dioxane-1,4" RELATED [ChemIDplus] +synonym: "glycol ethylene ether" RELATED [ChemIDplus] +synonym: "p-Dioxane" RELATED [KEGG_COMPOUND] +synonym: "tetrahydro-1,4-dioxin" RELATED [NIST_Chemistry_WebBook] +synonym: "tetrahydro-p-dioxin" RELATED [ChemIDplus] +synonym: "tetrahydro-para-dioxin" RELATED [ChemIDplus] +xref: Beilstein:102551 {source="Beilstein"} +xref: CAS:123-91-1 {source="ChemIDplus"} +xref: CAS:123-91-1 {source="NIST Chemistry WebBook"} +xref: CAS:123-91-1 {source="KEGG COMPOUND"} +xref: DrugBank:DB03316 +xref: KEGG:C14440 +xref: LINCS:LSM-37087 +xref: PDBeChem:DIO +xref: PMID:14550759 {source="Europe PMC"} +xref: PMID:18044507 {source="Europe PMC"} +xref: PMID:20598439 {source="Europe PMC"} +xref: PPDB:1638 +xref: Reaxys:102551 {source="Reaxys"} +xref: Wikipedia:1\,4-Dioxane +is_a: CHEBI:134179 ! volatile organic compound +is_a: CHEBI:46923 ! dioxane +relationship: has_role CHEBI:228364 ! NMR chemical shift reference compound +relationship: has_role CHEBI:25212 ! metabolite +relationship: has_role CHEBI:48355 ! non-polar solvent +relationship: has_role CHEBI:50903 ! carcinogenic agent +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H8O2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RYHBNJHYFVUHQT-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "88.10512" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "88.05243" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1COCCO1" xsd:string + [Term] id: CHEBI:47042 name: hydroxycalciol @@ -129581,6 +131301,32 @@ subset: 3_STAR synonym: "polyenes" RELATED [ChEBI] is_a: CHEBI:33641 ! olefin +[Term] +id: CHEBI:48122 +name: hydrogensilicate(3-) +namespace: chebi_ontology +def: "A trivalent inorganic anion obtained by removal of three protons from silicic acid." [] +subset: 3_STAR +synonym: "[SiO3(OH)](3-)" RELATED [IUPAC] +synonym: "HSiO4(3-)" RELATED [IUPAC] +synonym: "hydrogen orthosilicate" RELATED [ChEBI] +synonym: "hydrogen silicate" RELATED [ChEBI] +synonym: "hydrogen(tetraoxidosilicate)(3-)" EXACT IUPAC_NAME [IUPAC] +synonym: "hydrogensilicate" RELATED [IUPAC] +synonym: "hydroxidotrioxidosilicate(3-)" EXACT IUPAC_NAME [IUPAC] +xref: Gmelin:2006 {source="Gmelin"} +is_a: CHEBI:48123 ! silicate ion +is_a: CHEBI:79387 ! trivalent inorganic anion +relationship: is_conjugate_acid_of CHEBI:29241 ! silicate(4-) +relationship: is_conjugate_base_of CHEBI:48124 ! dihydrogensilicate(2-) +property_value: http://purl.obolibrary.org/obo/chebi/charge "-3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "HO4Si" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/HO4Si/c1-5(2,3)4/h1H/q-3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YXFLGHKCCDDCPJ-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "93.09104" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "92.96606" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[Si]([O-])([O-])[O-]" xsd:string + [Term] id: CHEBI:48123 name: silicate ion @@ -129588,6 +131334,58 @@ namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:37191 ! silicon oxoanion +[Term] +id: CHEBI:48124 +name: dihydrogensilicate(2-) +namespace: chebi_ontology +def: "A divalent inorganic anion obtained by removal of two protons from silicic acid." [] +subset: 3_STAR +synonym: "[SiO2(OH)2](2-)" RELATED [IUPAC] +synonym: "dihydrogen orthosilicate" RELATED [ChEBI] +synonym: "dihydrogen silicate" RELATED [ChEBI] +synonym: "dihydrogen(tetraoxidosilicate)(2-)" EXACT IUPAC_NAME [IUPAC] +synonym: "dihydrogensilicate" RELATED [IUPAC] +synonym: "dihydroxidodioxidosilicate(2-)" EXACT IUPAC_NAME [IUPAC] +synonym: "H2SiO4(2-)" RELATED [IUPAC] +xref: Gmelin:2007 {source="Gmelin"} +is_a: CHEBI:48123 ! silicate ion +is_a: CHEBI:79388 ! divalent inorganic anion +relationship: is_conjugate_acid_of CHEBI:48122 ! hydrogensilicate(3-) +relationship: is_conjugate_base_of CHEBI:48125 ! trihydrogensilicate(1-) +property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "H2O4Si" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2O4Si/c1-5(2,3)4/h1-2H/q-2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CEZYDDDHSRIKKZ-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "94.09898" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "93.97333" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[Si](O)([O-])[O-]" xsd:string + +[Term] +id: CHEBI:48125 +name: trihydrogensilicate(1-) +namespace: chebi_ontology +def: "A monovalent inorganic anion that consists of silicic acid in which one of the four OH groups has been deprotonated." [] +subset: 3_STAR +synonym: "[SiO(OH)3](-)" RELATED [IUPAC] +synonym: "H3SiO4(-)" RELATED [IUPAC] +synonym: "trihydrogen orthosilicate" RELATED [ChEBI] +synonym: "trihydrogen silicate" RELATED [ChEBI] +synonym: "trihydrogen(tetraoxidosilicate)(1-)" EXACT IUPAC_NAME [IUPAC] +synonym: "trihydrogensilicate" RELATED [IUPAC] +synonym: "trihydroxidooxidosilicate(1-)" EXACT IUPAC_NAME [IUPAC] +xref: Gmelin:2008 {source="Gmelin"} +is_a: CHEBI:48123 ! silicate ion +is_a: CHEBI:79389 ! monovalent inorganic anion +relationship: is_conjugate_acid_of CHEBI:48124 ! dihydrogensilicate(2-) +relationship: is_conjugate_base_of CHEBI:26675 ! silicic acid +property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "H3O4Si" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H3O4Si/c1-5(2,3)4/h1-3H/q-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KPJHDISCEXZBKC-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "95.10692" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "94.98061" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[Si](O)(O)[O-]" xsd:string + [Term] id: CHEBI:48132 name: tetracenomycin @@ -133443,6 +135241,33 @@ property_value: http://purl.obolibrary.org/obo/chebi/mass "164.22600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "164.06195" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCCSC[C@H](N)C(O)=O" xsd:string +[Term] +id: CHEBI:49828 +name: praseodymium atom +namespace: chebi_ontology +alt_id: CHEBI:33370 +alt_id: CHEBI:49827 +subset: 3_STAR +synonym: "59Pr" RELATED [IUPAC] +synonym: "Pr" RELATED [IUPAC] +synonym: "praseodimio" RELATED [ChEBI] +synonym: "Praseodym" RELATED [ChEBI] +synonym: "praseodyme" RELATED [ChEBI] +synonym: "praseodymium" EXACT IUPAC_NAME [IUPAC] +synonym: "praseodymium" RELATED [ChEBI] +xref: CAS:7440-10-0 {source="NIST Chemistry WebBook"} +xref: CAS:7440-10-0 {source="ChemIDplus"} +xref: WebElements:Pr +is_a: CHEBI:33319 ! lanthanoid atom +is_a: CHEBI:33562 ! f-block element atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "Pr" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Pr" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PUDIUYLPXJFUGB-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "140.90765" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "140.90766" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Pr]" xsd:string + [Term] id: CHEBI:4986 name: fatty acid methyl ester @@ -133530,6 +135355,54 @@ property_value: http://purl.obolibrary.org/obo/chebi/mass "125.94362" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "125.92981" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[As](O)O" xsd:string +[Term] +id: CHEBI:49976 +name: zinc dichloride +namespace: chebi_ontology +def: "A compound of zinc and chloride ions in the ratio 1:2. It exists in four crystalline forms, in each of which the Zn(2+) ions are trigonal planar coordinated to four chloride ions." [] +subset: 3_STAR +synonym: "butter of zinc" RELATED [ChemIDplus] +synonym: "chlorure de zinc" RELATED [ChemIDplus] +synonym: "dichlorozinc" RELATED [NIST_Chemistry_WebBook] +synonym: "zinc chloride" RELATED [ChemIDplus] +synonym: "zinc chloride, anhydrous" RELATED [NIST_Chemistry_WebBook] +synonym: "zinc dichloride" EXACT IUPAC_NAME [IUPAC] +synonym: "zinc(2+) chloride" EXACT IUPAC_NAME [IUPAC] +synonym: "zinc(II) chloride" EXACT IUPAC_NAME [IUPAC] +synonym: "Zinkchlorid" RELATED [ChemIDplus] +synonym: "ZnCl2" RELATED [IUPAC] +xref: CAS:7646-85-7 {source="NIST Chemistry WebBook"} +xref: CAS:7646-85-7 {source="ChemIDplus"} +xref: Gmelin:430396 {source="Gmelin"} +xref: KEGG:D02058 +xref: MolBase:1125 +xref: PMID:23021350 {source="Europe PMC"} +xref: PMID:23399499 {source="Europe PMC"} +xref: PMID:23471775 {source="Europe PMC"} +xref: PMID:23514640 {source="Europe PMC"} +xref: PMID:23546181 {source="Europe PMC"} +xref: PMID:23574241 {source="Europe PMC"} +xref: PMID:23739012 {source="Europe PMC"} +xref: PMID:23761032 {source="Europe PMC"} +xref: PMID:23763136 {source="Europe PMC"} +xref: PMID:29079364 {source="Europe PMC"} +xref: PMID:7615984 {source="Europe PMC"} +xref: PMID:9730919 {source="Europe PMC"} +xref: Wikipedia:Zinc_Chloride +is_a: CHEBI:27364 ! zinc molecular entity +is_a: CHEBI:36093 ! inorganic chloride +relationship: has_role CHEBI:39143 ! Lewis acid +relationship: has_role CHEBI:48219 ! disinfectant +relationship: has_role CHEBI:74783 ! astringent +relationship: has_role CHEBI:86385 ! EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl2Zn" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2ClH.Zn/h2*1H;/q;;+2/p-2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JIAARYAFYJHUJI-UHFFFAOYSA-L" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "136.29540" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "133.86685" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cl-].[Cl-].[Zn++]" xsd:string + [Term] id: CHEBI:4998 name: fenarimol @@ -136165,6 +138038,23 @@ synonym: "hydroxyalkane" RELATED [ChEBI] synonym: "hydroxyalkanes" RELATED [ChEBI] is_a: CHEBI:2571 ! aliphatic alcohol +[Term] +id: CHEBI:50594 +name: carbon nanotube +namespace: chebi_ontology +def: "A molecule consisting of a graphene cylinder or two or more concentric graphene cylinders." [] +subset: 3_STAR +synonym: "carbon nanotubes" RELATED [ChEBI] +synonym: "CNT" RELATED [ChEBI] +synonym: "Kohlenstoffnanoroehre" RELATED [ChEBI] +synonym: "Kohlenstoffnanoroehren" RELATED [ChEBI] +synonym: "nanotube de carbone" RELATED [ChEBI] +synonym: "nanotubes de carbone" RELATED [ChEBI] +synonym: "nanotubo de carbono" RELATED [ChEBI] +synonym: "nanotubos de carbono" RELATED [ChEBI] +is_a: CHEBI:50796 ! nanotube +is_a: CHEBI:50812 ! carbon nanostructure + [Term] id: CHEBI:50607 name: dityrosine @@ -137199,6 +139089,18 @@ subset: 3_STAR synonym: "nanoestructura" RELATED [ChEBI] is_a: CHEBI:36357 ! polyatomic entity +[Term] +id: CHEBI:50796 +name: nanotube +namespace: chebi_ontology +def: "A nanometre sized tube composed of either organic or inorganic substances." [] +subset: 3_STAR +synonym: "Nanoroehre" RELATED [ChEBI] +synonym: "Nanoroehren" RELATED [ChEBI] +synonym: "nanotubo" RELATED [ChEBI] +synonym: "nanotubos" RELATED [ChEBI] +is_a: CHEBI:50795 ! nanostructure + [Term] id: CHEBI:50803 name: nanoparticle @@ -139698,6 +141600,38 @@ is_a: CHEBI:38295 ! azabicycloalkane is_a: CHEBI:38297 ! thiabicycloalkane is_a: CHEBI:47857 ! ureas +[Term] +id: CHEBI:51580 +name: phthalocyanines +namespace: chebi_ontology +def: "Compounds containing a phthalocyanine skeleton." [] +subset: 3_STAR +synonym: "ftalocianinas" RELATED [ChEBI] +synonym: "Phthalocyanine" RELATED [ChEBI] +synonym: "Phthalozyanine" RELATED [ChEBI] +is_a: CHEBI:36309 ! cyclic tetrapyrrole + +[Term] +id: CHEBI:51584 +name: metallophthalocyanines +namespace: chebi_ontology +subset: 3_STAR +is_a: CHEBI:33909 ! metallotetrapyrrole +is_a: CHEBI:51580 ! phthalocyanines + +[Term] +id: CHEBI:51585 +name: metallophthalocyanine +namespace: chebi_ontology +subset: 3_STAR +synonym: "Metall-Phthalocyanin" RELATED [ChEBI] +is_a: CHEBI:51584 ! metallophthalocyanines +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C32H16N8" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "512.52300" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "512.14979" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1ccc2c(c1)C1=Nc3n4c(N=C5c6ccccc6C6=[N]5*44[N]1=C2N=c1n4c(=N6)c2ccccc12)c1ccccc31" xsd:string + [Term] id: CHEBI:51614 name: diarylmethane @@ -139980,6 +141914,72 @@ property_value: http://purl.obolibrary.org/obo/chebi/mass "233.30620" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "233.14158" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1" xsd:string +[Term] +id: CHEBI:5186 +name: fucoxanthin +namespace: chebi_ontology +alt_id: CHEBI:67925 +def: "An epoxycarotenol that is found in brown seaweed and which exhibits anti-cancer, anti-diabetic, anti-oxidative and neuroprotective properties." [] +subset: 3_STAR +synonym: "(3'S,5'R,6'R)-3'-acetoxy-5,6-epoxy-3,5'-dihydroxy-6',7'-didehydro-5,6,7,8,5',6'-hexahydro-beta,beta-caroten-8-one" RELATED [CBN] +synonym: "(3S,3'S,5R,5'R,6S,6'R)-3'-(acetyloxy)-6',7'-didehydro-5,6-epoxy-5,5',6,6',7,8-hexahydro-3,5'-dihydroxy-8-oxo-beta,beta-carotene" RELATED [ChemIDplus] +synonym: "(3S,5R,6S,3'S,5'R,6'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,6-epoxy-5,6,7,8,5',6'-hexahydro-beta,beta-caroten-3'-yl acetate" EXACT IUPAC_NAME [IUPAC] +synonym: "Fucoxanthin" EXACT [KEGG_COMPOUND] +xref: Beilstein:6580822 {source="Beilstein"} +xref: CAS:3351-86-8 {source="ChemIDplus"} +xref: CAS:3351-86-8 {source="KEGG COMPOUND"} +xref: KEGG:C08596 +xref: KNApSAcK:C00003773 +xref: LIPID_MAPS_instance:LMPR01070300 {source="LIPID MAPS"} +xref: PMID:16786166 {source="Europe PMC"} +xref: PMID:17436581 {source="Europe PMC"} +xref: PMID:18230364 {source="Europe PMC"} +xref: PMID:19264501 {source="Europe PMC"} +xref: PMID:19797858 {source="Europe PMC"} +xref: PMID:27283644 {source="Europe PMC"} +xref: PMID:27399729 {source="Europe PMC"} +xref: PMID:27430384 {source="Europe PMC"} +xref: PMID:27455130 {source="Europe PMC"} +xref: PMID:27590588 {source="Europe PMC"} +xref: PMID:27785684 {source="Europe PMC"} +xref: PMID:27914891 {source="Europe PMC"} +xref: PMID:27960297 {source="Europe PMC"} +xref: PMID:28070550 {source="Europe PMC"} +xref: PMID:28212270 {source="Europe PMC"} +xref: PMID:28373414 {source="Europe PMC"} +xref: PMID:28382818 {source="Europe PMC"} +xref: PMID:28387741 {source="Europe PMC"} +xref: PMID:28389351 {source="Europe PMC"} +xref: PMID:28429775 {source="Europe PMC"} +xref: PMID:28469544 {source="Europe PMC"} +xref: PMID:28478680 {source="Europe PMC"} +xref: PMID:28642129 {source="Europe PMC"} +xref: PMID:28850007 {source="Europe PMC"} +xref: PMID:28865626 {source="Europe PMC"} +xref: PMID:28928905 {source="Europe PMC"} +xref: Reaxys:6580822 {source="Reaxys"} +is_a: CHEBI:26878 ! tertiary alcohol +is_a: CHEBI:35307 ! epoxycarotenol +is_a: CHEBI:35681 ! secondary alcohol +is_a: CHEBI:37602 ! allenes +is_a: CHEBI:47622 ! acetate ester +relationship: has_role CHEBI:35526 ! hypoglycemic agent +relationship: has_role CHEBI:62868 ! hepatoprotective agent +relationship: has_role CHEBI:63726 ! neuroprotective agent +relationship: has_role CHEBI:66902 ! CFTR potentiator +relationship: has_role CHEBI:68494 ! apoptosis inhibitor +relationship: has_role CHEBI:76507 ! marine metabolite +relationship: has_role CHEBI:76924 ! plant metabolite +relationship: has_role CHEBI:77962 ! food antioxidant +relationship: has_role CHEBI:84735 ! algal metabolite +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C42H58O6" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C42H58O6/c1-29(18-14-19-31(3)22-23-37-38(6,7)26-35(47-33(5)43)27-40(37,10)46)16-12-13-17-30(2)20-15-21-32(4)36(45)28-42-39(8,9)24-34(44)25-41(42,11)48-42/h12-22,34-35,44,46H,24-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+/t23-,34-,35-,40+,41+,42-/m0/s1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SJWWTRQNNRNTPU-XJUZQKKNSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "658.90632" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "658.42334" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=C=C1C(C)(C)C[C@@H](C[C@@]1(C)O)OC(C)=O)C(\\C)=C\\C=C\\C(C)=C\\C=C\\C=C(C)\\C=C\\C=C(/C)C(=O)C[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C" xsd:string + [Term] id: CHEBI:51860 name: dexmethylphenidate @@ -142385,6 +144385,111 @@ synonym: "ionic polymer" RELATED [ChEBI] synonym: "polyionic macromolecule" RELATED [ChEBI] is_a: CHEBI:33839 ! macromolecule +[Term] +id: CHEBI:53387 +name: poly(hydroxyalkanoate) +namespace: chebi_ontology +def: "A polymer composed of repeating hydroxyalkanoyl units." [] +subset: 3_STAR +synonym: "PHAs" RELATED [SUBMITTER] +synonym: "poly(hydroxyalkanoate)s" RELATED [SUBMITTER] +synonym: "polyhydroxyalkanoate" RELATED [SUBMITTER] +synonym: "polyhydroxyalkanoates" RELATED [SUBMITTER] +is_a: CHEBI:26178 ! polyester macromolecule + +[Term] +id: CHEBI:53388 +name: poly(hydroxybutyrate) +namespace: chebi_ontology +def: "A polymer composed of repeating hydroxybutyryl units." [] +subset: 3_STAR +synonym: "PHB" RELATED [SUBMITTER] +synonym: "PHBs" RELATED [SUBMITTER] +synonym: "poly(hydroxy butyrate)" RELATED [SUBMITTER] +synonym: "poly(hydroxy butyrate)s" RELATED [SUBMITTER] +synonym: "poly(hydroxybutyrate)s" RELATED [SUBMITTER] +synonym: "polyhydroxy butyrate" RELATED [SUBMITTER] +synonym: "polyhydroxy butyrates" RELATED [SUBMITTER] +synonym: "polyhydroxybutyrate" RELATED [SUBMITTER] +synonym: "polyhydroxybutyrates" RELATED [SUBMITTER] +is_a: CHEBI:53387 ! poly(hydroxyalkanoate) + +[Term] +id: CHEBI:53404 +name: poly(alkylene vinylene) macromolecule +namespace: chebi_ontology +def: "A macromolecule with the general formula (-CR2-CR=C(R)CR2-)n where R=H or an alkyl group." [] +subset: 3_STAR +synonym: "poly(alkylene vinylene)" RELATED [ChEBI] +synonym: "polyalkylene vinylene" RELATED [ChEBI] +synonym: "polyalkylene vinylenes" RELATED [SUBMITTER] +synonym: "polyalkylenevinylene" RELATED [SUBMITTER] +synonym: "polyalkylenevinylenes" RELATED [SUBMITTER] +is_a: CHEBI:37997 ! homopolymer macromolecule + +[Term] +id: CHEBI:53405 +name: poly(isoprene) macromolecule +namespace: chebi_ontology +def: "A macromolecule composed of repeating 2-methylbut-2-ene units." [] +subset: 3_STAR +synonym: "Natural rubber" RELATED [ChemIDplus] +synonym: "poly(1-methylbut-1-ene-1,4-diyl)" EXACT IUPAC_NAME [IUPAC] +synonym: "poly(isoprene)" RELATED [ChEBI] +synonym: "poly(isoprene)s" RELATED [SUBMITTER] +synonym: "Polyisoprene" RELATED [ChemIDplus] +synonym: "polyisoprene" EXACT IUPAC_NAME [IUPAC] +synonym: "polyisoprenes" RELATED [ChEBI] +synonym: "Rubber" RELATED [ChemIDplus] +xref: Beilstein:8387995 {source="Beilstein"} +xref: Beilstein:9546571 {source="Beilstein"} +xref: CAS:9006-04-6 {source="ChemIDplus"} +is_a: CHEBI:53404 ! poly(alkylene vinylene) macromolecule +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "(C5H8)n" xsd:string + +[Term] +id: CHEBI:53406 +name: cis-1,4-polyisoprene +namespace: chebi_ontology +def: "A polymer composed of repeating cis-2-methylbut-2-ene units." [] +subset: 3_STAR +synonym: "cis-1,4-polyisoprene" EXACT [UniProt] +synonym: "poly(cis-1,4-isoprene)" RELATED [MetaCyc] +synonym: "poly(isoprene)" RELATED [SUBMITTER] +synonym: "poly[(2Z)-2-methylbut-2-ene-1,4-diyl]" EXACT IUPAC_NAME [IUPAC] +xref: Beilstein:10767314 {source="Beilstein"} +xref: MetaCyc:cis-14-isoprene +xref: Reaxys:10767314 {source="Reaxys"} +is_a: CHEBI:53405 ! poly(isoprene) macromolecule +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "(C5H8)n.H2" xsd:string + +[Term] +id: CHEBI:53448 +name: methyl cellulose +namespace: chebi_ontology +def: "A (1->4)-beta-D-glucan compound formed by methylating cellulose through exposure to NaOH/CH3Cl." [] +subset: 3_STAR +synonym: "Cellulose methyl" RELATED [ChemIDplus] +synonym: "cellulose methyl ether" RELATED [SUBMITTER] +synonym: "Cellulose methylate" RELATED [ChemIDplus] +synonym: "E461" RELATED [SUBMITTER] +synonym: "methylated cellulose" RELATED [SUBMITTER] +synonym: "Methylcellulose" RELATED INN [ChEBI] +synonym: "methylcellulose" RELATED [SUBMITTER] +synonym: "Methylcellulosum" RELATED INN [ChemIDplus] +synonym: "Metilcelulosa" RELATED INN [ChemIDplus] +xref: Beilstein:11200258 {source="Beilstein"} +xref: Beilstein:8189187 {source="Beilstein"} +xref: CAS:9004-67-5 {source="KEGG DRUG"} +xref: CAS:9004-67-5 {source="ChemIDplus"} +xref: KEGG:D04996 +is_a: CHEBI:28793 ! beta-D-glucan +relationship: has_functional_parent CHEBI:18246 ! (1->4)-beta-D-glucan +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "(C9H16O5)n" xsd:string + [Term] id: CHEBI:53487 name: all-cis-docosa-7,10,13,16-tetraenoic acid @@ -146684,6 +148789,24 @@ property_value: http://purl.obolibrary.org/obo/chebi/mass "380.47970" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "380.25713" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCCCCCCCCC[C@@H](O)[C@@H]([NH3+])COP([O-])([O-])=O" xsd:string +[Term] +id: CHEBI:57942 +name: chlorophyllide a(1-) +namespace: chebi_ontology +def: "A cyclic tetrapyrrole anion that is the conjugate base of chlorophyllide a arising from deprotonation of the carboxy group; major species at pH 7.3." [] +subset: 3_STAR +synonym: "chlorophyllide a anion" RELATED [ChEBI] +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion +relationship: is_conjugate_acid_of CHEBI:83348 ! chlorophyllide a(2-) +relationship: is_conjugate_base_of CHEBI:16900 ! chlorophyllide a +property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C35H33MgN4O5" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C35H36N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8,12-14,17,21,31H,1,9-11H2,2-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-3/t17-,21-,31+;/m0./s1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ANWUQYTXRXCEMZ-NYABAGMLSA-K" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "613.96600" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "613.23069" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC1=C(C)C2=[N+]3C1=Cc1c(C)c4C(=O)[C@H](C(=O)OC)C5=C6[C@@H](CCC([O-])=O)[C@H](C)C7=[N+]6[Mg--]3(n1c45)n1c(=C7)c(C)c(C=C)c1=C2" xsd:string + [Term] id: CHEBI:57945 name: NADH(2-) @@ -148409,6 +150532,25 @@ property_value: http://purl.obolibrary.org/obo/chebi/mass "128.10600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "128.03532" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)[C@@H]1CCC(=O)N1" xsd:string +[Term] +id: CHEBI:58416 +name: chlorophyll a(1-) +namespace: chebi_ontology +def: "A cyclic tetrapyrrole anion arising from deprotonation at the 21-position of chlorophyll a." [] +subset: 3_STAR +synonym: "chlorophyll a" RELATED [UniProt] +is_a: CHEBI:139291 ! chlorophyll(1-) +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion +relationship: has_role CHEBI:23357 ! cofactor +relationship: is_conjugate_base_of CHEBI:18230 ! chlorophyll a +property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C55H71MgN4O5" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C55H72N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-2;+2/p-1/b34-26+;/t32-,33-,37+,41+;/m1./s1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VSRAJQZEEBBURZ-ONWAGYJKSA-M" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "892.48100" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "891.52804" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC1=C(C)C2=Cc3c(C=C)c(C)c4C=C5[C@@H](C)[C@H](CCC(=O)OC\\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C6=[N+]5[Mg--]5(n34)n3c(=CC1=[N+]25)c(C)c1C(=O)[C-](C(=O)OC)C6=c31" xsd:string + [Term] id: CHEBI:58419 name: 4-hydroxy-L-proline zwitterion @@ -149085,6 +151227,42 @@ property_value: http://purl.obolibrary.org/obo/chebi/mass "183.05660" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "182.99327" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@H](COP([O-])([O-])=O)C([O-])=O" xsd:string +[Term] +id: CHEBI:58686 +name: chlorophyllide b(1-) +namespace: chebi_ontology +def: "A cyclic tetrapyrrole anion that is the conjugate base of chlorophyllide b, arising from deprotonation of the carboxy group." [] +subset: 3_STAR +synonym: "chlorophyllide b anion" RELATED [ChEBI] +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion +relationship: is_conjugate_acid_of CHEBI:83356 ! chlorophyllide b(2-) +relationship: is_conjugate_base_of CHEBI:38209 ! chlorophyllide b +property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C35H31MgN4O6" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C35H34N4O6.Mg/c1-7-18-15(3)22-11-23-16(4)20(9-10-28(41)42)32(38-23)30-31(35(44)45-6)34(43)29-17(5)24(39-33(29)30)12-26-19(8-2)21(14-40)27(37-26)13-25(18)36-22;/h7,11-14,16,20,31H,1,8-10H2,2-6H3,(H3,36,37,38,39,40,41,42,43);/q;+2/p-3/t16-,20-,31+;/m0./s1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QPDWBRHRBKXUNS-IEEIVXFASA-K" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "627.950" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "627.20995" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=12N3C(=CC4=NC(=CC=5N(C=6C(=C7N=C(C1)[C@H]([C@@H]7CCC([O-])=O)C)[C@H](C(C6C5C)=O)C(=O)OC)[Mg]3)C(=C4C=O)CC)C(=C2C)C=C" xsd:string + +[Term] +id: CHEBI:58688 +name: divinyl chlorophyllide a(1-) +namespace: chebi_ontology +def: "A cyclic tetrapyrrole anion that is the conjugate base of divinyl chlorophyllide a, arising from deprotonation of the carboxy group." [] +subset: 3_STAR +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion +relationship: is_conjugate_acid_of CHEBI:83349 ! divinyl chlorophyllide a(2-) +relationship: is_conjugate_base_of CHEBI:38259 ! divinyl chlorophyllide a +property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C35H31MgN4O5" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C35H34N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8-9,12-14,17,21,31H,1-2,10-11H2,3-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-3/t17-,21-,31+;/m0./s1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IQLDSMIBDORHSF-NYABAGMLSA-K" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "611.95000" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "611.21504" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC(=O)[C@H]1C(=O)c2c(C)c3C=C4C(C=C)=C(C)C5=[N+]4[Mg--]46n3c2C1=C1[C@@H](CCC([O-])=O)[C@H](C)C(C=c2c(C)c(C=C)c(=C5)n42)=[N+]61" xsd:string + [Term] id: CHEBI:5870 name: imidacloprid @@ -150483,7 +152661,7 @@ name: medium-chain fatty acid anion namespace: chebi_ontology def: "A fatty acid anion resulting from the deprotonation of the carboxylic acid moiety of a medium-chain fatty acid." [] subset: 3_STAR -synonym: "a medium chain fatty acid" RELATED [UniProt] +synonym: "a medium-chain fatty acid" RELATED [UniProt] synonym: "MCFA anion" RELATED [ChEBI] synonym: "MCFA anions" RELATED [ChEBI] synonym: "medium-chain FA anion" RELATED [ChEBI] @@ -151029,6 +153207,18 @@ subset: 3_STAR synonym: "nucleotide-sugar oxoanions" RELATED [ChEBI] is_a: CHEBI:58945 ! organophosphate oxoanion +[Term] +id: CHEBI:59739 +name: electrophilic reagent +namespace: chebi_ontology +def: "A reagent that forms a bond to its reaction partner (the nucleophile) by accepting both bonding electrons from that reaction partner." [] +subset: 3_STAR +synonym: "electrophile" RELATED [ChEBI] +synonym: "electrophiles" RELATED [ChEBI] +synonym: "electrophilic reagents" RELATED [ChEBI] +is_a: CHEBI:33893 ! reagent +is_a: CHEBI:39143 ! Lewis acid + [Term] id: CHEBI:59740 name: nucleophilic reagent @@ -154933,6 +157123,45 @@ is_a: CHEBI:53339 ! olefinic fatty acid is_a: CHEBI:59644 ! oxo fatty acid relationship: is_conjugate_acid_of CHEBI:131859 ! oxo-ETE anion +[Term] +id: CHEBI:61720 +name: bacteriochlorophyll a(1-) +namespace: chebi_ontology +def: "The cyclic tetrapyrrole anion that is bacteriochlorophyll a protonated to pH 7.3." [] +subset: 3_STAR +synonym: "[methyl (3S,4S,13R,14R)-9-acetyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-13,14-dihydrophorbine-21-carboxylatato(3-)-kappa4N(23),N(24),N(25),N(26)]magnesate(1-)" EXACT IUPAC_NAME [IUPAC] +synonym: "bacteriochlorophyll a" RELATED [UniProt] +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion +relationship: is_conjugate_base_of CHEBI:30033 ! bacteriochlorophyll a +property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C55H73MgN4O6" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C55H74N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3;/h25,27-32,34-35,39-40H,13-24,26H2,1-12H3,(H-,56,57,58,59,60,62);/q-2;+2/p-1/b33-25+;/t31-,32-,34-,35+,39-,40+;/m1./s1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QOSUYSWYVJFCJO-VMLNTYRVSA-M" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "910.498" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "909.53860" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=12N3C(=CC4=[N+]5C(=CC=6N7C=8C(=C9[N+](=C(C1)[C@H]([C@@H]9CCC(OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)\\C)=O)C)[Mg-2]735)[C-](C(C8C6C)=O)C(=O)OC)[C@@H]([C@H]4C)CC)C(=C2C)C(=O)C" xsd:string + +[Term] +id: CHEBI:61721 +name: chlorophyll b(1-) +namespace: chebi_ontology +def: "The cyclic tetrapyrrole anion that is chlorophyll b protonated to pH 7.3." [] +subset: 3_STAR +synonym: "[methyl (3S,4S)-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)phorbine-21-carboxylatato(3-)-kappaN(23),kappa(4)N(24),kappaN(25),kappaN(26)]magnesate(1-)" EXACT IUPAC_NAME [IUPAC] +synonym: "chlorophyll b" RELATED [UniProt] +is_a: CHEBI:139291 ! chlorophyll(1-) +is_a: CHEBI:28965 ! dicarboxylic acid dianion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion +relationship: has_role CHEBI:23357 ! cofactor +relationship: is_conjugate_base_of CHEBI:27888 ! chlorophyll b +property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C55H69MgN4O6" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C55H70N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-33,36,40H,1,13-24,26H2,2-11H3,(H-,56,57,58,59,60,62);/q-2;+2/p-1/b34-25+;/t32-,33-,36+,40+;/m1./s1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WMNTZEAJBUMETR-YKKLGNEQSA-M" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "906.46460" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "905.50730" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC1=C(C=O)C2=[N+]3C1=Cc1c(C)c4C(=O)[C-](C(=O)OC)C5=C6[C@@H](CCC(=O)OC\\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H](C)C7=[N+]6[Mg--]3(n1c45)n1c(=C7)c(C)c(C=C)c1=C2" xsd:string + [Term] id: CHEBI:61739 name: aureobasidin A @@ -169468,6 +171697,46 @@ property_value: http://purl.obolibrary.org/obo/chebi/mass "43.025" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.00581" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC([*])([*])N([*])[*]" xsd:string +[Term] +id: CHEBI:73095 +name: divinyl chlorophyll a(1-) +namespace: chebi_ontology +def: "A cyclic tetrapyrrole anion arising from deprotonation at the 21-position of divinyl chlorophyll a" [] +subset: 3_STAR +synonym: "[methyl (3S,4S)-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-9,14-divinylphorbine-21-carboxylatato(3-)-kappa(4)N(23),N(24),N(25),N(26)]magnesate(1-)" EXACT IUPAC_NAME [IUPAC] +synonym: "divinyl chlorophyll a" RELATED [UniProt] +xref: PMID:20484022 {source="SUBMITTER"} +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion +relationship: has_role CHEBI:23357 ! cofactor +relationship: is_conjugate_base_of CHEBI:73113 ! divinyl chlorophyll a +property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C55H69MgN4O5" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C55H70N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13-14,26,28-33,37,41H,1-2,15-25,27H2,3-12H3,(H-,56,57,58,59,61);/q-2;+2/p-1/b34-26+;/t32-,33-,37+,41+;/m1./s1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZNGSRZUYGXSJBD-ONWAGYJKSA-M" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "890.46520" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "889.51239" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC(=O)[C-]1C(=O)c2c(C)c3=CC4=[N+]5C(=Cc6c(C=C)c(C)c7C=C8[C@@H](C)[C@H](CCC(=O)OC\\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C9=[N+]8[Mg--]5(n67)n3c2=C19)C(C)=C4C=C" xsd:string + +[Term] +id: CHEBI:73096 +name: divinyl chlorophyll b(1-) +namespace: chebi_ontology +def: "A cyclic tetrapyrrole anion arising from deprotonation at the 21-position of divinyl chlorophyll b." [] +subset: 3_STAR +synonym: "[methyl (3S,4S)-13-formyl-4,8,18-trimethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-9,14-divinylphorbine-21-carboxylatato(3-)-kappa(4)N(23),N(24),N(25),N(26)]magnesate(1-)" EXACT IUPAC_NAME [IUPAC] +synonym: "divinyl chlorophyll b" RELATED [UniProt] +xref: PMID:20484022 {source="SUBMITTER"} +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion +relationship: has_role CHEBI:23357 ! cofactor +relationship: is_conjugate_base_of CHEBI:73115 ! divinyl chlorophyll b +property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C55H67MgN4O6" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C55H68N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12-13,25,27-33,36,40H,1-2,14-24,26H2,3-11H3,(H-,56,57,58,59,60,62);/q-2;+2/p-1/b34-25+;/t32-,33-,36+,40+;/m1./s1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XCSMCRBINIVJRP-YKKLGNEQSA-M" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "904.44870" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "903.49165" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC(=O)[C-]1C(=O)c2c(C)c3C=C4C(C=C)=C(C=O)C5=[N+]4[Mg--]46n3c2C1=C1[C@@H](CCC(=O)OC\\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H](C)C(C=c2c(C)c(C=C)c(=C5)n42)=[N+]61" xsd:string + [Term] id: CHEBI:73110 name: ganglioside GM1(1-) @@ -169490,6 +171759,54 @@ property_value: http://purl.obolibrary.org/obo/chebi/mass "1545.81480" xsd:strin property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "1544.86938" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@@H]1[C@@H](O)[C@@H](O[C@H](CO)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1NC(C)=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](OC[C@H](NC(=O)CCCCCCCCCCCCCCCCC)[C@H](O)\\C=C\\CCCCCCCCCCCCC)O[C@@H]1CO)C([O-])=O)[C@H](O)[C@H](O)CO" xsd:string +[Term] +id: CHEBI:73113 +name: divinyl chlorophyll a +namespace: chebi_ontology +def: "A carboxylic ester obtained by formal condensation of the carboxy group of divinyl chlorophyll a with the hydroxy group of (2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol." [] +subset: 3_STAR +synonym: "[methyl (3S,4S,21R)-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-9,14-divinylphorbine-21-carboxylatato(2-)-kappa(4)N(23),N(24),N(25),N(26)]magnesium" EXACT IUPAC_NAME [IUPAC] +synonym: "Divinylchlorophyll a" RELATED [KEGG_COMPOUND] +xref: KEGG:C11850 +xref: PMID:1481980 {source="Europe PMC"} +xref: PMID:15695432 {source="Europe PMC"} +xref: PMID:22387397 {source="Europe PMC"} +xref: PMID:7842852 {source="Europe PMC"} +xref: Reaxys:21120522 {source="Reaxys"} +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:28966 ! chlorophyll +relationship: has_functional_parent CHEBI:38259 ! divinyl chlorophyllide a +relationship: has_role CHEBI:23357 ! cofactor +relationship: is_conjugate_acid_of CHEBI:73095 ! divinyl chlorophyll a(1-) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C55H70MgN4O5" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C55H71N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13-14,26,28-33,37,41,51H,1-2,15-25,27H2,3-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32-,33-,37+,41+,51-;/m1./s1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "COQGSKNKQZLZEJ-AENOIHSZSA-M" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "891.47310" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "890.51966" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC(=O)[C@H]1C(=O)c2c(C)c3=CC4=[N+]5C(=Cc6c(C=C)c(C)c7C=C8[C@@H](C)[C@H](CCC(=O)OC\\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C9=[N+]8[Mg--]5(n67)n3c2=C19)C(C)=C4C=C" xsd:string + +[Term] +id: CHEBI:73115 +name: divinyl chlorophyll b +namespace: chebi_ontology +def: "A carboxylic ester obtained by formal condensation of the carboxy group of divinyl chlorophyll b with the hydroxy group of (2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol." [] +subset: 3_STAR +synonym: "[methyl (3S,4S,21R)-13-formyl-4,8,18-trimethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-9,14-divinylphorbine-21-carboxylatato(2-)-kappa(4)N(23),N(24),N(25),N(26)]magnesium" EXACT IUPAC_NAME [IUPAC] +xref: PMID:15695432 {source="Europe PMC"} +xref: PMID:9452521 {source="Europe PMC"} +is_a: CHEBI:25248 ! methyl ester +is_a: CHEBI:28966 ! chlorophyll +relationship: has_role CHEBI:23357 ! cofactor +relationship: is_conjugate_acid_of CHEBI:73096 ! divinyl chlorophyll b(1-) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C55H68MgN4O6" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C55H69N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12-13,25,27-33,36,40,51H,1-2,14-24,26H2,3-11H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b34-25+;/t32-,33-,36+,40+,51-;/m1./s1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NGKPZYGLFKXZKI-VBYMZDBQSA-M" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "905.45660" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "904.49893" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC(=O)[C@H]1C(=O)c2c(C)c3C=C4C(C=C)=C(C=O)C5=[N+]4[Mg--]46n3c2C1=C1[C@@H](CCC(=O)OC\\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H](C)C(C=c2c(C)c(C=C)c(=C5)n42)=[N+]61" xsd:string + [Term] id: CHEBI:73129 name: tazarotenic acid @@ -179436,6 +181753,20 @@ synonym: "thickening agent" RELATED [ChEBI] synonym: "thickening agents" RELATED [ChEBI] is_a: CHEBI:64047 ! food additive +[Term] +id: CHEBI:77971 +name: raising agent +namespace: chebi_ontology +def: "A food additive which liberates gas so as to increase the volume of a dough or batter, resulting in a lighter and softer finished product." [] +subset: 3_STAR +synonym: "food raising agent" RELATED [ChEBI] +synonym: "food raising agents" RELATED [ChEBI] +synonym: "leavening agent" RELATED [ChEBI] +synonym: "leavening agents" RELATED [ChEBI] +synonym: "raising agents" RELATED [ChEBI] +xref: Wikipedia:Leavening_agent +is_a: CHEBI:64047 ! food additive + [Term] id: CHEBI:77974 name: food packaging gas @@ -187055,6 +189386,25 @@ property_value: http://purl.obolibrary.org/obo/chebi/mass "1096.966" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "1096.36803" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(=O)N[C@@H]1[C@@H](O)C[C@@](O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OC[C@H](NC([*])=O)[C@H](O)[*])O[C@@H]3CO)O[C@H](CO)[C@@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2NC(C)=O)(O[C@H]1[C@H](O)[C@H](O)CO)C([O-])=O" xsd:string +[Term] +id: CHEBI:82661 +name: diatomaceous earth +namespace: chebi_ontology +def: "A form of silicon dioxide composed of skeletons of prehistoric diatoms (a type of hard-shelled algae). It can absorb up to four times its weight in water, and is used as an absorbent, filtration aid, and mild abrasive." [] +subset: 3_STAR +synonym: "Celite" RELATED [ChemIDplus] +synonym: "diatomite" RELATED [ChEBI] +synonym: "fossil flour" RELATED [ChemIDplus] +synonym: "kieselguhr" RELATED [ChemIDplus] +synonym: "siliceous earth" RELATED [ChemIDplus] +xref: CAS:61790-53-2 {source="ChemIDplus"} +xref: PMID:24516665 {source="Europe PMC"} +xref: PMID:24767070 {source="Europe PMC"} +xref: PMID:25024689 {source="Europe PMC"} +xref: Wikipedia:Diatomaceous_earth +is_a: CHEBI:30563 ! silicon dioxide +is_a: CHEBI:46662 ! mineral + [Term] id: CHEBI:82663 name: elemental iron @@ -188469,6 +190819,62 @@ property_value: http://purl.obolibrary.org/obo/chebi/mass "80.06300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "79.95681" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]S(=O)(=O)O[*]" xsd:string +[Term] +id: CHEBI:83348 +name: chlorophyllide a(2-) +namespace: chebi_ontology +def: "A cyclic tetrapyrrole anion arising from deprotonation of the carboxy group and the C-21 posiiton of chlorophyllide a. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.)." [] +subset: 3_STAR +synonym: "chlorophyllide a" RELATED [UniProt] +is_a: CHEBI:139292 ! chlorophyllide(2-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion +relationship: is_conjugate_base_of CHEBI:57942 ! chlorophyllide a(1-) +property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C35H32MgN4O5" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C35H35N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8,12-14,17,21H,1,9-11H2,2-7H3,(H3,36,37,38,39,40,41,42);/q-1;+2/p-3/t17-,21-;/m0./s1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IZOAGQOHKWGYKF-PVMVIUQGSA-K" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "612.95800" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "612.22341" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC1=C(C)C2=[N+]3C1=Cc1c(C)c4C(=O)[C-](C(=O)OC)C5=C6[C@@H](CCC([O-])=O)[C@H](C)C7=[N+]6[Mg--]3(n1c45)n1c(=C7)c(C)c(C=C)c1=C2" xsd:string + +[Term] +id: CHEBI:83349 +name: divinyl chlorophyllide a(2-) +namespace: chebi_ontology +def: "A cyclic tetrapyrrole anion that is the conjugate base of divinyl chlorophyllide a, arising from deprotonation of the carboxy group and formation of a carbide ion. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.)." [] +subset: 3_STAR +synonym: "3,8-divinyl chlorophyllide a" RELATED [UniProt] +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion +relationship: is_conjugate_base_of CHEBI:58688 ! divinyl chlorophyllide a(1-) +property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C35H30MgN4O5" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C35H33N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8-9,12-14,17,21H,1-2,10-11H2,3-7H3,(H3,36,37,38,39,40,41,42);/q-1;+2/p-3/t17-,21-;/m0./s1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UNSKJTNUDHVNJT-PVMVIUQGSA-K" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "610.94300" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "610.20776" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC(=O)[C-]1C(=O)c2c(C)c3C=C4C(C=C)=C(C)C5=[N+]4[Mg--]46n3c2C1=C1[C@@H](CCC([O-])=O)[C@H](C)C(C=c2c(C)c(C=C)c(=C5)n42)=[N+]61" xsd:string + +[Term] +id: CHEBI:83356 +name: chlorophyllide b(2-) +namespace: chebi_ontology +def: "A cyclic tetrapyrrole anion that is derived from chlorophyllide b via deprotonation of the carboxy group and formation of a carbide ion. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.)." [] +subset: 3_STAR +synonym: "chlorophyllide b" RELATED [UniProt] +is_a: CHEBI:139292 ! chlorophyllide(2-) +is_a: CHEBI:35757 ! monocarboxylic acid anion +is_a: CHEBI:58941 ! cyclic tetrapyrrole anion +relationship: is_conjugate_base_of CHEBI:58686 ! chlorophyllide b(1-) +property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C35H30MgN4O6" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C35H33N4O6.Mg/c1-7-18-15(3)22-11-23-16(4)20(9-10-28(41)42)32(38-23)30-31(35(44)45-6)34(43)29-17(5)24(39-33(29)30)12-26-19(8-2)21(14-40)27(37-26)13-25(18)36-22;/h7,11-14,16,20H,1,8-10H2,2-6H3,(H3,36,37,38,39,40,41,42,43);/q-1;+2/p-3/t16-,20-;/m0./s1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WSVKRUWOLPKKOO-XXRBRTKDSA-K" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "626.94200" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "626.20267" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC1=C(C=O)C2=[N+]3C1=Cc1c(C)c4C(=O)[C-](C(=O)OC)C5=C6[C@@H](CCC([O-])=O)[C@H](C)C7=[N+]6[Mg--]3(n1c45)n1c(=C7)c(C)c(C=C)c1=C2" xsd:string + [Term] id: CHEBI:83358 name: N-stearoylsphingosine-1-phosphocholine diff --git a/chebi_slim.owl b/chebi_slim.owl index 8a9ecfd..eb292ee 100644 --- a/chebi_slim.owl +++ b/chebi_slim.owl @@ -7,8 +7,8 @@ Prefix(rdfs:=) Ontology( - -Annotation(owl:versionInfo "2024-07-26") + +Annotation(owl:versionInfo "2024-08-02") Declaration(Class()) Declaration(Class()) @@ -367,6 +367,8 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -566,6 +568,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -594,9 +597,12 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -858,6 +864,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -948,6 +955,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -987,6 +995,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -1265,10 +1274,12 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -1277,6 +1288,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -1320,6 +1332,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -1655,6 +1668,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -1695,6 +1709,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -2008,6 +2023,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -2087,6 +2103,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -2159,6 +2176,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -2221,6 +2239,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -2305,7 +2324,9 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -2343,6 +2364,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -2442,6 +2464,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -2457,6 +2480,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -2540,6 +2564,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -2608,6 +2633,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -2671,6 +2697,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -2714,6 +2741,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -2763,6 +2791,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -2856,6 +2885,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -2882,9 +2912,12 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -2931,6 +2964,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -3237,6 +3271,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -3291,6 +3326,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -3320,17 +3356,26 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -3344,7 +3389,12 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -3392,6 +3442,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -3445,6 +3496,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -3480,6 +3532,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -3773,6 +3826,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -3819,6 +3873,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -4129,6 +4184,8 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -4342,6 +4399,8 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -4443,8 +4502,11 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -4452,6 +4514,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -4492,6 +4555,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -4653,7 +4717,10 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -4664,6 +4731,8 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -4931,6 +5000,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -4996,6 +5066,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -5181,6 +5252,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -5305,6 +5377,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -5316,6 +5389,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -5342,6 +5416,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -5435,7 +5510,10 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -5619,9 +5697,11 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -5767,6 +5847,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -5814,6 +5895,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -5965,6 +6047,9 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -5989,6 +6074,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -6108,6 +6194,12 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -6288,6 +6380,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -6363,6 +6456,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -6392,6 +6486,8 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -6490,6 +6586,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -6706,6 +6803,8 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -7332,7 +7431,11 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -7786,6 +7889,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -8102,6 +8206,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -8170,6 +8275,9 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -10529,7 +10637,7 @@ AnnotationAssertion( "118.05097") AnnotationAssertion( "NCC(O)CC([O-])=O") AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:352-21-6") -AnnotationAssertion(Annotation( "ChEBI") "KEGG:C03678") +AnnotationAssertion( "KEGG:C03678") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "4-Amino-3-hydroxybutanoate") AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "CHEBI:11955") @@ -16841,6 +16949,40 @@ AnnotationAssertion( "secondary nitroalkane") SubClassOf( ) +# Class: (chlorophyll(1-)) + +AnnotationAssertion( "A cyclic tetrapyrrole anion that is the carbanion obtained by removal of the acidic proton from position 21 of any chlorophyll. Major species at pH 7.3") +AnnotationAssertion( "-1") +AnnotationAssertion( "C49H57MgN4O5R4") +AnnotationAssertion( "806.308") +AnnotationAssertion( "805.41794") +AnnotationAssertion( "C1=2N3C(C=C4[N+]5=C(C=C6N7C8=C(C9=[N+](C(=C1)[C@H]([C@@H]9CCC(OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)\\C)=O)C)[Mg-2]735)[C-](C(C8=C6C)=O)C(=O)OC)C(=C4*)*)=C(C2*)*") +AnnotationAssertion(Annotation( "SUBMITTER") "Wikipedia:Chlorophyll") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "UniProt") "a chlorophyll") +AnnotationAssertion( "CHEBI:139291") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "chlorophyll(1-)") +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + +# Class: (chlorophyllide(2-)) + +AnnotationAssertion( "A cyclic tetrapyrrole anion obtained by removal of the acidic proton from position 21 as well as deprotonation of the carboxy group of any chlorophyllide. Major species at pH 7.3") +AnnotationAssertion( "-2") +AnnotationAssertion( "C29H18MgN4O5R4") +AnnotationAssertion( "526.783") +AnnotationAssertion( "526.11276") +AnnotationAssertion( "C1=2N3C(C=C4[N+]5=C(C=C6N7C8=C(C9=[N+](C(=C1)[C@H]([C@@H]9CCC([O-])=O)C)[Mg-2]735)[C-](C(C8=C6C)=O)C(=O)OC)C(=C4*)*)=C(C2*)*") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "UniProt") "a chlorophyllide") +AnnotationAssertion( "CHEBI:139292") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "chlorophyllide(2-)") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: ((+)-jasmonic acid) AnnotationAssertion( "An oxo monocarboxylic acid that is (3-oxocyclopentyl)acetic acid substituted by a (2Z)-pent-2-en-1-yl group at position 2 of the cyclopentane ring.") @@ -18511,7 +18653,7 @@ AnnotationAssertion( "586.658") AnnotationAssertion( "586.28714") AnnotationAssertion( "C1(C(=C([C@H]([C@@]2(C[C@@]3(CC4=C(C=C(C(=C4C(C3=C([C@]12O)O)=O)O)NC(C[NH2+]C(C)(C)C)=O)N(C)C)[H])[H])[NH+](C)C)[O-])C(=O)N)=O") -AnnotationAssertion(Annotation( "WebElements") "MetaCyc:CPD-19260") +AnnotationAssertion( "MetaCyc:CPD-19260") AnnotationAssertion(Annotation( "SUBMITTER") "PMID:16128584") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "(1S,4aS,11aR,12aS)-8-[2-(tert-butylammonio)acetamido]-3-carbamoyl-10-(dimethylamino)-1-(dimethylammonio)-4a,5,7-trihydroxy-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-2-olate") AnnotationAssertion( "chebi_ontology") @@ -21268,6 +21410,47 @@ SubClassOf( ObjectSomeValuesFrom( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (acrolein) + +AnnotationAssertion( "An enal that is prop-2-ene with an oxo group at position 1.") +AnnotationAssertion( "0") +AnnotationAssertion( "C3H4O") +AnnotationAssertion( "InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2") +AnnotationAssertion( "HGINCPLSRVDWNT-UHFFFAOYSA-N") +AnnotationAssertion( "56.06326") +AnnotationAssertion( "56.02621") +AnnotationAssertion( "[H]C(=C)C([H])=O") +AnnotationAssertion( "CHEBI:13720") +AnnotationAssertion( "CHEBI:22214") +AnnotationAssertion( "CHEBI:2434") +AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:107-02-8") +AnnotationAssertion( "HMDB:HMDB0041822") +AnnotationAssertion( "KEGG:C01471") +AnnotationAssertion( "MetaCyc:ACROLEIN") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:11888018") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:16725382") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:18023956") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:18234483") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:18686065") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:18823586") +AnnotationAssertion( "PPDB:1016") +AnnotationAssertion(Annotation( "Reaxys") "Reaxys:741856") +AnnotationAssertion( "Wikipedia:Acrolein") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Acrolein") +AnnotationAssertion(Annotation( "UniProt") "acrolein") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "acrylaldehyde") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Acrylaldehyde") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Acrylic aldehyde") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Propenal") +AnnotationAssertion( "CHEBI:15368") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "acrolein") +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (actinomycin) AnnotationAssertion( "A large group of antibiotics isolated from various species of Streptomyces and characterised by having a substituted phenoxazine ring linked to two cyclic heterodetic peptides.") @@ -22635,6 +22818,38 @@ AnnotationAssertion( "HexCer(d34:1)") SubClassOf( ) +# Class: (argon-39 atom) + +AnnotationAssertion( "A trace radioisotope of argon with atomic mass of 38.964313 and a half-life of 269 years.") +AnnotationAssertion( "0") +AnnotationAssertion( "[39Ar]") +AnnotationAssertion( "InChI=1S/Ar/i1-1") +AnnotationAssertion( "XKRFYHLGVUSROY-BJUDXGSMSA-N") +AnnotationAssertion( "38.964") +AnnotationAssertion( "38.96431") +AnnotationAssertion( "[Ar]") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:25729-41-3") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:16429279") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:17781454") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:17791262") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:28017500") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:28755564") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:30487580") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "(39)18Ar") +AnnotationAssertion(Annotation( "ChemIDplus") "(39)Ar") +AnnotationAssertion(Annotation( "ChEBI") "(39)Ar radioisotope") +AnnotationAssertion(Annotation( "ChEBI") "Ar-39") +AnnotationAssertion(Annotation( "ChEBI") "Ar-39 radioisotope") +AnnotationAssertion(Annotation( "ChEBI") "argon 39") +AnnotationAssertion(Annotation( "ChemIDplus") "argon, isotope of mass 39") +AnnotationAssertion(Annotation( "ChEBI") "argon-39") +AnnotationAssertion( "CHEBI:155827") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "argon-39 atom") +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (phosphatidylethanolamine 34:1) AnnotationAssertion( "0") @@ -22687,6 +22902,105 @@ AnnotationAssertion(rdfs:label "tr SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (copper(II) phthalocyanine) + +AnnotationAssertion( "A metallophthalocyanine that is copper(2+) forming a coordination complex with phthalocyanine. It is a synthetic blue pigment which is used as a colorant in paints and dyes.") +AnnotationAssertion( "0") +AnnotationAssertion( "C32H16CuN8") +AnnotationAssertion( "InChI=1S/C32H16N8.Cu/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16H;/q-2;+2") +AnnotationAssertion( "XCJYREBRNVKWGJ-UHFFFAOYSA-N") +AnnotationAssertion( "576.082") +AnnotationAssertion( "575.07939") +AnnotationAssertion( "C12=N3C(=NC=4N5C(N=C6N7=C(N=C8N(C(=N1)C9=CC=CC=C89)[Cu]357)C%10=CC=CC=C6%10)=C%11C=CC=CC4%11)C%12=CC=CC=C2%12") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:147-14-8") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:147-14-8") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:1236148") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:25974675") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:26166552") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:26450310") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:30548371") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:31459092") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:31460132") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:31560544") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:32272836") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:32282215") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:3979886") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:7359622") +AnnotationAssertion(Annotation( "Reaxys") "Reaxys:4121848") +AnnotationAssertion( "Wikipedia:Phthalocyanine_Blue_BN") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "[29H,31H-phthalocyaninato(2-)-kappa(4)N(29),N(30),N(31),N(32)]copper") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Accosperse cyan blue GT") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Aqualine blue") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Arlocyanine blue PS") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Bahama blue BC") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Bahama blue BNC") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Bahama blue WD") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Bahama blue lake NCNF") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Bermuda blue") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Blue GLA") +AnnotationAssertion(Annotation( "ChemIDplus") "C.I. 74160") +AnnotationAssertion(Annotation( "ChemIDplus") "C.I. pigment blue 15") +AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") Annotation( ) "Congo blue B 4") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Cromophtal blue 4G") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Cromophtal blue 4GN") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Cromophtal blue GF") +AnnotationAssertion(Annotation( "ChEBI") "Cu-phthaloblue") +AnnotationAssertion(Annotation( "ChEBI") "CuPc") +AnnotationAssertion(Annotation( "ChEBI") Annotation( ) "Cyan blue GT") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Cyan blue GTNF") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Cyan peacock blue G") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Cyanine Blue BF") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Cyanine Blue C") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Cyanine Blue GNPS") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Cyanine Blue HB") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Cyanine blue BB") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Cyanine blue LBG") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Cyanine blue Rnf") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Fastogen blue") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Fastolux blue") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Fastolux peacock blue") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Graphtol blue") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Helio blue B") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Helio fast blue") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Heliogen blue") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Hostaperm blue") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Indolen blue 3G") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Irgalite blue") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Irgaplast blue RBP") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Isol fast blue") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Isol phthalo blue") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Linnol blue") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Lumatex blue B") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Lutetia fast cyanine B") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Monarch blue") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Monarch blue toner") +AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") Annotation( ) "Monastral blue B") +AnnotationAssertion(Annotation( "ChemIDplus") "copper (II) phthalocyanine") +AnnotationAssertion(Annotation( "ChemIDplus") "copper phthalocyanin") +AnnotationAssertion(Annotation( "ChemIDplus") "copper phthalocyanine") +AnnotationAssertion(Annotation( "ChemIDplus") "copper phthalocyanine blue") +AnnotationAssertion(Annotation( "ChEBI") "copper tetrabenzoporphyrazine") +AnnotationAssertion(Annotation( "ChemIDplus") "copper(2+) phthalocyanine") +AnnotationAssertion(Annotation( "ChemIDplus") "copper-phthalocyanine") +AnnotationAssertion(Annotation( "ChemIDplus") "pigment blue 15") +AnnotationAssertion( "CHEBI:155903") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "copper(II) phthalocyanine") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + +# Class: (copper tetrapyrrole) + +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "copper tetrapyrroles") +AnnotationAssertion( "CHEBI:155908") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "copper tetrapyrrole") +SubClassOf( ) +SubClassOf( ) + # Class: (malate(2-)) AnnotationAssertion( "A C4-dicarboxylate resulting from deprotonation of both carboxy groups of malic acid.") @@ -33760,6 +34074,40 @@ AnnotationAssertion( "albumin type") SubClassOf( ) +# Class: (soybean oil) + +AnnotationAssertion( "An oil extracted from the seeds of Glycine max. Typical fatty acid composition is 51% linoleic acid, 7-10% alpha-linolenic acid, 23% oleic acid, 10% palmitic acid and 4% stearic acid.") +AnnotationAssertion(Annotation( "Europe PMC") "AGR:IND605943385") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:8001-22-7") +AnnotationAssertion( "DrugBank:DB09422") +AnnotationAssertion( "KEGG:D04962") +AnnotationAssertion(Annotation( "SUBMITTER") "PMID:19783644") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:26365705") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:32625705") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:33357113") +AnnotationAssertion( "Wikipedia:Soybean_oil") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "KEGG_DRUG") Annotation( ) "Intrafat") +AnnotationAssertion(Annotation( "KEGG_DRUG") Annotation( ) "Intralipid") +AnnotationAssertion(Annotation( "ChemIDplus") "extract of soy") +AnnotationAssertion(Annotation( "ChemIDplus") "oils, soybean") +AnnotationAssertion(Annotation( "ChEBI") "soy bean oil") +AnnotationAssertion(Annotation( "SUBMITTER") "soy oil") +AnnotationAssertion(Annotation( "ChemIDplus") "soy-bean oil") +AnnotationAssertion(Annotation( "ChemIDplus") "soya bean oil") +AnnotationAssertion(Annotation( "ChemIDplus") "soya oil") +AnnotationAssertion(Annotation( "ChemIDplus") "soya-bean oil") +AnnotationAssertion( "CHEBI:166975") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "soybean oil") +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (cyanamide) AnnotationAssertion( "A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by an amino group.") @@ -36847,6 +37195,35 @@ SubClassOf( ObjectSomeValuesFrom( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (chlorophyllide a) + +AnnotationAssertion( "0") +AnnotationAssertion( "C35H34MgN4O5") +AnnotationAssertion( "InChI=1S/C35H36N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8,12-14,17,21,31H,1,9-11H2,2-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-2/t17-,21-,31+;/m0./s1") +AnnotationAssertion( "ANWUQYTXRXCEMZ-NYABAGMLSA-L") +AnnotationAssertion( "614.97300") +AnnotationAssertion( "614.23796") +AnnotationAssertion( "CCC1=C(C)C2=Cc3c(C=C)c(C)c4C=C5[C@@H](C)[C@H](CCC(O)=O)C6=[N+]5[Mg--]5(n34)n3c(=CC1=[N+]25)c(C)c1C(=O)[C@H](C(=O)OC)C6=c31") +AnnotationAssertion( "CHEBI:13976") +AnnotationAssertion( "CHEBI:13977") +AnnotationAssertion( "CHEBI:23159") +AnnotationAssertion( "CHEBI:3633") +AnnotationAssertion(Annotation( "Beilstein") "Beilstein:5801116") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:14897-06-4") +AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:14897-06-4") +AnnotationAssertion( "KEGG:C02139") +AnnotationAssertion( "KNApSAcK:C00007316") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Chlorophyllide a") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "Chlorophyllid a") +AnnotationAssertion( "CHEBI:16900") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "chlorophyllide a") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (4-nitroquinoline N-oxide) AnnotationAssertion( "A quinoline N-oxide carrying a nitro substituent at position 4.") @@ -38521,6 +38898,82 @@ SubClassOf( ObjectSomeValuesFrom( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (dinitrogen oxide) + +AnnotationAssertion( "A nitrogen oxide consisting of linear unsymmetrical molecules with formula N2O. While it is the most used gaseous anaesthetic in the world, its major commercial use, due to its solubility under pressure in vegetable fats combined with its non-toxicity in low concentrations, is as an aerosol spray propellant and aerating agent for canisters of 'whipped' cream.") +AnnotationAssertion( "0") +AnnotationAssertion( "N2O") +AnnotationAssertion( "InChI=1S/N2O/c1-2-3") +AnnotationAssertion( "GQPLMRYTRLFLPF-UHFFFAOYSA-N") +AnnotationAssertion( "44.01280") +AnnotationAssertion( "44.00106") +AnnotationAssertion( "[O-][N+]#N") +AnnotationAssertion( "CHEBI:14661") +AnnotationAssertion( "CHEBI:25568") +AnnotationAssertion( "CHEBI:44250") +AnnotationAssertion( "CHEBI:7598") +AnnotationAssertion(Annotation( "Beilstein") "Beilstein:8137358") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:10024-97-2") +AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:10024-97-2") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:10024-97-2") +AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:4238") +AnnotationAssertion(Annotation( "Gmelin") "Gmelin:2153410") +AnnotationAssertion( "KEGG:C00887") +AnnotationAssertion( "KEGG:D00102") +AnnotationAssertion( "PDBeChem:N2O") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:11159233") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:11811748") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:15316643") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:15644008") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:16179535") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:17093360") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:18992971") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:19910265") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:21622873") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:23643142") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:7880215") +AnnotationAssertion(Annotation( "Reaxys") "Reaxys:8137358") +AnnotationAssertion(Annotation( "UM-BBD") "UM-BBD_compID:c0650") +AnnotationAssertion( "Wikipedia:Nitrous_oxide") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Dinitrogen oxide") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "dinitrogen oxide") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "oxidodinitrogen(N--N)") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Dinitrogen monoxide") +AnnotationAssertion(Annotation( "ChEBI") "Distickstoffmonoxid") +AnnotationAssertion(Annotation( "ChEBI") "E942") +AnnotationAssertion(Annotation( "ChEBI") "Lachgas") +AnnotationAssertion(Annotation( "IUPAC") "N2O") +AnnotationAssertion(Annotation( "IUPAC") "NNO") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Nitrous oxide") +AnnotationAssertion(Annotation( "ChEBI") "R-744A") +AnnotationAssertion(Annotation( "ChEBI") "Stickstoff(I)-oxid") +AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "diazyne 1-oxide") +AnnotationAssertion(Annotation( "ChemIDplus") "factitious air") +AnnotationAssertion(Annotation( "ChEBI") "gaz hilarant") +AnnotationAssertion(Annotation( "ChemIDplus") "laughing gas") +AnnotationAssertion(Annotation( "ChemIDplus") "nitrogen protoxide") +AnnotationAssertion(Annotation( "ChEBI") "nitrogenium oxydulatum") +AnnotationAssertion(Annotation( "UniProt") "nitrous oxide") +AnnotationAssertion(Annotation( "ChEBI") "oxyde nitreux") +AnnotationAssertion(Annotation( "ChemIDplus") "protoxyde d'azote") +AnnotationAssertion( "CHEBI:17045") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "dinitrogen oxide") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (3-phosphoglyceric acid) AnnotationAssertion( "A monophosphoglyceric acid having the phospho group at the 3-position. It is an intermediate in metabolic pathways like glycolysis and calvin cycle.") @@ -50413,6 +50866,44 @@ AnnotationAssertion(rdfs:label "xyl SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (chlorophyll a) + +AnnotationAssertion( "0") +AnnotationAssertion( "C55H72MgN4O5") +AnnotationAssertion( "InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32-,33-,37+,41+,51-;/m1./s1") +AnnotationAssertion( "ATNHDLDRLWWWCB-AENOIHSZSA-M") +AnnotationAssertion( "893.48900") +AnnotationAssertion( "892.53531") +AnnotationAssertion( "CCC1=C(C)C2=Cc3c(C=C)c(C)c4C=C5[C@@H](C)[C@H](CCC(=O)OC\\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C6=[N+]5[Mg--]5(n34)n3c(=CC1=[N+]25)c(C)c1C(=O)[C@H](C(=O)OC)C6=c31") +AnnotationAssertion( "CHEBI:13974") +AnnotationAssertion( "CHEBI:23157") +AnnotationAssertion( "CHEBI:3631") +AnnotationAssertion( "CHEBI:48807") +AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1208847") +AnnotationAssertion(Annotation( "Beilstein") "Beilstein:4651978") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:479-61-8") +AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:479-61-8") +AnnotationAssertion( "COMe:MOL000003") +AnnotationAssertion( "DrugBank:DB02133") +AnnotationAssertion(Annotation( "Gmelin") "Gmelin:475109") +AnnotationAssertion( "KEGG:C05306") +AnnotationAssertion( "KNApSAcK:C00001528") +AnnotationAssertion( "PDBeChem:CLA") +AnnotationAssertion(Annotation( "PDBeChem") "CHLOROPHYLL A") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Chlorophyll a") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl (2(2)R,17S,18S)-7-ethyl-2(1),2(2),17,18-tetrahydro-2(2)-(methoxycarbonyl)-3,8,13,17-tetramethyl-2(1)-oxo-12-ethenylcyclopenta[at]porphyrin-18-propanoato(2-)]magnesium") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChemIDplus") "(SP-4-2)-((2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl (3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(2-)-kappaN(23),kappaN(24),kappaN(25),kappaN(26))-magnesium") +AnnotationAssertion(Annotation( "ChemIDplus") "Chlorophyll") +AnnotationAssertion( "CHEBI:18230") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "chlorophyll a") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (arsenic acid) AnnotationAssertion( "An arsenic oxoacid comprising one oxo group and three hydroxy groups attached to a central arsenic atom.") @@ -50592,6 +51083,34 @@ SubClassOf( ObjectSomeValuesFrom( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) +# Class: ((1->4)-beta-D-glucan) + +AnnotationAssertion( "A beta-D-glucan in which the glucose units are connected by (1->4) linkages.") +AnnotationAssertion( "0") +AnnotationAssertion( "(C6H10O5)nH2O") +AnnotationAssertion( "CHEBI:10812") +AnnotationAssertion( "CHEBI:23063") +AnnotationAssertion( "CHEBI:3529") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:9004-34-6") +AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:9004-34-6") +AnnotationAssertion( "HMDB:HMDB0006944") +AnnotationAssertion( "KEGG:C00760") +AnnotationAssertion( "KEGG:D00093") +AnnotationAssertion( "KEGG:G10481") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "(1->4)-beta-D-glucopyranan") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "(1,4-beta-D-Glucosyl)n") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "(1,4-beta-D-Glucosyl)n+1") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "(1,4-beta-D-Glucosyl)n-1") +AnnotationAssertion(Annotation( "IUBMB") "(1,4-beta-D-glucosyl)n") +AnnotationAssertion(Annotation( "UniProt") "(1,4-beta-D-glucosyl)n") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "1,4-beta-D-Glucan") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Cellulose") +AnnotationAssertion( "CHEBI:18246") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "(1->4)-beta-D-glucan") +SubClassOf( ) + # Class: (iron atom) AnnotationAssertion( "An iron group element atom that has atomic number 26.") @@ -50929,6 +51448,59 @@ AnnotationAssertion(rdfs:label "2'- SubClassOf( ) SubClassOf( ) +# Class: (dihydrogen) + +AnnotationAssertion( "An elemental molecule consisting of two hydrogens joined by a single bond.") +AnnotationAssertion( "0") +AnnotationAssertion( "H2") +AnnotationAssertion( "InChI=1S/H2/h1H") +AnnotationAssertion( "UFHFLCQGNIYNRP-UHFFFAOYSA-N") +AnnotationAssertion( "2.01588") +AnnotationAssertion( "2.01565") +AnnotationAssertion( "[H][H]") +AnnotationAssertion( "CHEBI:13350") +AnnotationAssertion( "CHEBI:25363") +AnnotationAssertion( "CHEBI:5785") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:1333-74-0") +AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:1333-74-0") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:1333-74-0") +AnnotationAssertion(Annotation( "Gmelin") "Gmelin:3") +AnnotationAssertion( "HMDB:HMDB0001362") +AnnotationAssertion( "KEGG:C00282") +AnnotationAssertion( "MetaCyc:HYDROGEN-MOLECULE") +AnnotationAssertion( "MolBase:748") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:15303745") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:16517646") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:18706888") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:19905000") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:19908827") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:20568549") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:24171421") +AnnotationAssertion(Annotation( "Reaxys") "Reaxys:3587189") +AnnotationAssertion( "Wikipedia:Hydrogen") +AnnotationAssertion(Annotation( "ChEBI") "dihydrogen") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "dihydrogen") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "E 949") +AnnotationAssertion(Annotation( "ChEBI") "E-949") +AnnotationAssertion(Annotation( "ChEBI") "E949") +AnnotationAssertion(Annotation( "IUPAC") "H2") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "H2") +AnnotationAssertion(Annotation( "UniProt") "H2") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Hydrogen") +AnnotationAssertion(Annotation( "ChEBI") "molecular hydrogen") +AnnotationAssertion( "CHEBI:18276") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "dihydrogen") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (nucleobase) AnnotationAssertion( "That part of DNA or RNA that may be involved in pairing.") @@ -51927,8 +52499,9 @@ AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:14265-44-2") AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1997") AnnotationAssertion( "KEGG:C00009") -AnnotationAssertion(Annotation( "ChEBI") "PDBeChem:PO4") +AnnotationAssertion( "PDBeChem:PO4") AnnotationAssertion(Annotation( "Reaxys") "Reaxys:3903772") +AnnotationAssertion( "Wikipedia:Phosphate") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "phosphate") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tetraoxidophosphate(3-)") AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tetraoxophosphate(3-)") @@ -52761,6 +53334,65 @@ AnnotationAssertion( "PC(19:3(10Z,13Z,16Z)/0:0)") SubClassOf( ) +# Class: (sulfur dioxide) + +AnnotationAssertion( "0") +AnnotationAssertion( "O2S") +AnnotationAssertion( "InChI=1S/O2S/c1-3-2") +AnnotationAssertion( "RAHZWNYVWXNFOC-UHFFFAOYSA-N") +AnnotationAssertion( "64.06480") +AnnotationAssertion( "63.96190") +AnnotationAssertion( "O=S=O") +AnnotationAssertion( "CHEBI:45789") +AnnotationAssertion( "CHEBI:8992") +AnnotationAssertion( "CHEBI:9351") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7446-09-5") +AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:7446-09-5") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7446-09-5") +AnnotationAssertion( "DrugBank:DB16426") +AnnotationAssertion( "FooDB:FDB013399") +AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1443") +AnnotationAssertion( "HMDB:HMDB0034834") +AnnotationAssertion( "KEGG:C09306") +AnnotationAssertion( "KEGG:D05961") +AnnotationAssertion( "PDBeChem:SO2") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:19238997") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:36976798") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:37049885") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:37192218") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:37439466") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:37844159") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:38099545") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:38232945") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:38305621") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:38414396") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:38476666") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:38642156") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:38661196") +AnnotationAssertion( "Wikipedia:Sulfur_dioxide") +AnnotationAssertion(Annotation( "PDBeChem") "SULFUR DIOXIDE") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Sulfur dioxide") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "dioxidosulfur") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "sulfur dioxide") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "R-764") +AnnotationAssertion(Annotation( "IUPAC") "SO2") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "SO2") +AnnotationAssertion(Annotation( "ChEBI") "Schwefel(IV)-oxid") +AnnotationAssertion(Annotation( "ChemIDplus") "Schwefeldioxid") +AnnotationAssertion(Annotation( "IUPAC") "[SO2]") +AnnotationAssertion(Annotation( "PDBeChem") "oxosulfane oxide") +AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "sulfurous anhydride") +AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "sulfurous oxide") +AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "sulphur dioxide") +AnnotationAssertion( "CHEBI:18422") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "sulfur dioxide") +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (streptidine(2+)) AnnotationAssertion( "A guanidinium ion obtained by protonation of both guanidino groups of streptidine; major species at pH 7.3.") @@ -58548,6 +59180,17 @@ AnnotationAssertion( "carotene") SubClassOf( ) +# Class: (epoxycarotenoid) + +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "carotenoid epoxides") +AnnotationAssertion(Annotation( "ChEBI") "epoxycarotenoids") +AnnotationAssertion( "CHEBI:23043") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "epoxycarotenoid") +SubClassOf( ) +SubClassOf( ) + # Class: (carotenoid) AnnotationAssertion( "One of a class of tetraterpenoids (C40), formally derived from the acyclic parent, psi,psi-carotene by hydrogenation, dehydrogenation, cyclization, oxidation, or combination of these processes. This class includes carotenes, xanthophylls and certain compounds that arise from rearrangement of the skeleton of psi,psi-carotene or by loss of part of this structure. Retinoids are excluded.") @@ -59155,6 +59798,24 @@ AnnotationAssertion( "chloropropene") SubClassOf( ) +# Class: (sialylglycoconjugate anion) + +AnnotationAssertion( "A sialylglycoconjugate where the composition of the glycoconjugate represented with an R is not defined, can be an oligosaccharide, a glycoprotein or a glycolipid.") +AnnotationAssertion( "-1") +AnnotationAssertion( "C11H17NO9R") +AnnotationAssertion( "307.254") +AnnotationAssertion( "307.09033") +AnnotationAssertion( "*O[C@]1(O[C@]([C@@H]([C@H](C1)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)[O-]") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "SUBMITTER") "Neu5Ac-glycoconjugate anion") +AnnotationAssertion(Annotation( "UniProt") "a sialoglycoconjugate") +AnnotationAssertion(Annotation( "SUBMITTER") "a sialoglycoconjugate anion") +AnnotationAssertion( "CHEBI:231691") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "sialylglycoconjugate anion") +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (choline ester) AnnotationAssertion( "CHEBI:3666") @@ -63665,6 +64326,16 @@ AnnotationAssertion(rdfs:label "mag SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (magnesium porphyrin) + +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "magnesium porphyrins") +AnnotationAssertion( "CHEBI:25111") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "magnesium porphyrin") +SubClassOf( ) +SubClassOf( ) + # Class: (malate) AnnotationAssertion( "A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of malic acid.") @@ -64932,6 +65603,27 @@ AnnotationAssertion( "neopterins") SubClassOf( ) +# Class: (neoxanthin) + +AnnotationAssertion( "An epoxycarotenoid that is 6,7-didehydro-5,5',6,6'-tetrahydro-5',6'-epoxy-beta,beta-carotene which is substituted by hydroxy groups at the 3, 3', and 5 positions.") +AnnotationAssertion( "0") +AnnotationAssertion( "C40H56O4") +AnnotationAssertion( "InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/t22-,33-,34-,38+,39+,40-/m0/s1") +AnnotationAssertion( "PGYAYSRVSAJXTE-QLIYCPSBSA-N") +AnnotationAssertion( "600.87020") +AnnotationAssertion( "600.41786") +AnnotationAssertion( "[H]C(=CC([H])=C(C)C([H])=CC([H])=C(C)C([H])=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)C=C(C)C=C([H])C=C(C)C=C([H])[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C") +AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:30743-41-0") +AnnotationAssertion( "KEGG:C08606") +AnnotationAssertion( "KNApSAcK:C00003780") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "all-trans-Neoxanthin") +AnnotationAssertion( "CHEBI:25501") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "neoxanthin") +SubClassOf( ) +SubClassOf( ) + # Class: (neuraminates) AnnotationAssertion( "chebi_ontology") @@ -66095,6 +66787,77 @@ AnnotationAssertion( "oxopurine") SubClassOf( ) +# Class: (ozone) + +AnnotationAssertion( "An elemental molecule with formula O3. An explosive, pale blue gas (b.p. -112degreeC) that has a characteristic, pungent odour, it is continuously produced in the upper atmosphere by the action of solar ultraviolet radiation on atmospheric oxygen. It is an antimicrobial agent used in the production of bottled water, as well as in the treatment of meat, poultry and other foodstuffs.") +AnnotationAssertion( "0") +AnnotationAssertion( "O3") +AnnotationAssertion( "InChI=1S/O3/c1-3-2") +AnnotationAssertion( "CBENFWSGALASAD-UHFFFAOYSA-N") +AnnotationAssertion( "47.99820") +AnnotationAssertion( "47.98474") +AnnotationAssertion( "[O-][O+]=O") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:10028-15-6") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:10028-15-6") +AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1101") +AnnotationAssertion( "HMDB:HMDB0035409") +AnnotationAssertion( "MolBase:931") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:10205911") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:10226494") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:10552743") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:11029342") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:11203434") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:11568152") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:12509241") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:15598576") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:15963550") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:1717074") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:17674823") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:18250191") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:18699586") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:19519548") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:19580672") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:19723209") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:19827485") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:20477724") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:23488636") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:23501341") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:23517299") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:23556239") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:24001808") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:24176344") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:24188305") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:7763188") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:8255146") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:9202716") +AnnotationAssertion(Annotation( "Reaxys") "Reaxys:4921393") +AnnotationAssertion( "Wikipedia:Ozone") +AnnotationAssertion(Annotation( "ChEBI") "ozone") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "ozone") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "trioxygen") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "O3") +AnnotationAssertion(Annotation( "IUPAC") "O3") +AnnotationAssertion(Annotation( "ChEBI") "Ozon") +AnnotationAssertion(Annotation( "ChEBI") "Trisauerstoff") +AnnotationAssertion(Annotation( "MolBase") "[OO2]") +AnnotationAssertion(Annotation( "ChEBI") "ozono") +AnnotationAssertion(Annotation( "ChEBI") "trioxygene") +AnnotationAssertion( "CHEBI:25812") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "ozone") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (p-N,N-bis(2-chloroethyl)aminophenylvaleric acid) AnnotationAssertion( "chebi_ontology") @@ -66881,6 +67644,19 @@ AnnotationAssertion(rdfs:label "pol SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (polyester macromolecule) + +AnnotationAssertion( "A macromolecule composed of units connected by carboxylic ester (-O-CO-) linkages.") +AnnotationAssertion(Annotation( "Beilstein") "Beilstein:8192505") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "polyester") +AnnotationAssertion(Annotation( "ChEBI") "polyesters") +AnnotationAssertion( "CHEBI:26178") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "polyester macromolecule") +SubClassOf( ) +SubClassOf( ) + # Class: (polyether antibiotic) AnnotationAssertion( "chebi_ontology") @@ -68063,6 +68839,16 @@ AnnotationAssertion(rdfs:label "qua SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (quinate) + +AnnotationAssertion( "A cyclitol carboxylic acid anion that is conjugate base of quinic acid.") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion( "CHEBI:26490") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "quinate") +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (quinhydrone) AnnotationAssertion( "0") @@ -68089,6 +68875,20 @@ SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (quinic acid) + +AnnotationAssertion( "A cyclitol carboxylic acid.") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:15589483") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:19952409") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:23590498") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion( "CHEBI:26493") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "quinic acid") +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (quinoline N-oxide) AnnotationAssertion( "chebi_ontology") @@ -68652,6 +69452,36 @@ SubClassOf( ) SubClassOf( ) +# Class: (silicic acid) + +AnnotationAssertion( "0") +AnnotationAssertion( "H4O4Si") +AnnotationAssertion( "InChI=1S/H4O4Si/c1-5(2,3)4/h1-4H") +AnnotationAssertion( "RMAQACBXLXPBSY-UHFFFAOYSA-N") +AnnotationAssertion( "96.11486") +AnnotationAssertion( "95.98789") +AnnotationAssertion( "O[Si](O)(O)O") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:10193-36-9") +AnnotationAssertion(Annotation( "Gmelin") "Gmelin:2009") +AnnotationAssertion(Annotation( "UM-BBD") "UM-BBD_compID:c0577") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "silanetetrol") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "silicic acid") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tetrahydroxidosilicon") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "H4SiO4") +AnnotationAssertion(Annotation( "ChEBI") "Kieselsaeure") +AnnotationAssertion(Annotation( "ChEBI") "Orthokieselsaeure") +AnnotationAssertion(Annotation( "IUPAC") "[Si(OH)4]") +AnnotationAssertion(Annotation( "ChemIDplus") "monosilicic acid") +AnnotationAssertion(Annotation( "ChemIDplus") "orthosilicic acid") +AnnotationAssertion(Annotation( "ChemIDplus") "silicon tetrahydroxide") +AnnotationAssertion(Annotation( "ChemIDplus") "tetrahydroxysilane") +AnnotationAssertion( "CHEBI:26675") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "silicic acid") +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (silicon molecular entity) AnnotationAssertion(Annotation( "ChEBI") "silicon molecular entity") @@ -70430,6 +71260,30 @@ AnnotationAssertion(rdfs:label "uns SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (uranium atom) + +AnnotationAssertion( "0") +AnnotationAssertion( "U") +AnnotationAssertion( "InChI=1S/U") +AnnotationAssertion( "JFALSRSLKYAFGM-UHFFFAOYSA-N") +AnnotationAssertion( "238.02890") +AnnotationAssertion( "238.05079") +AnnotationAssertion( "[U]") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-61-1") +AnnotationAssertion( "WebElements:U") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "uranium") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "92U") +AnnotationAssertion(Annotation( "IUPAC") "U") +AnnotationAssertion(Annotation( "ChEBI") "Uran") +AnnotationAssertion(Annotation( "ChEBI") "uranio") +AnnotationAssertion(Annotation( "ChEBI") "uranium") +AnnotationAssertion( "CHEBI:27214") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "uranium atom") +SubClassOf( ) +SubClassOf( ) + # Class: (urate(2-)) AnnotationAssertion( "-2") @@ -70699,6 +71553,20 @@ AnnotationAssertion( "vinyl carbamate") SubClassOf( ) +# Class: (violaxanthin) + +AnnotationAssertion( "An epoxycarotenol that is 5,5',6,6'-tetrahydro-5,6:5',6'-diepoxy-beta,beta-carotene substituted by hydroxy groups at positions 3 and 3'. It is the naturally occurring xanthophyll pigment found in a variety of plants.") +AnnotationAssertion( "0") +AnnotationAssertion( "C40H56O4") +AnnotationAssertion( "600.872") +AnnotationAssertion( "600.41786") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion( "CHEBI:27295") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "violaxanthin") +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (vitamin D) AnnotationAssertion( "Any member of a group of fat-soluble hydroxy seco-steroids that exhibit biological activity against vitamin D deficiency. Vitamin D can be obtained from sun exposure, food and supplements and is biologically inactive and converted into the biologically active calcitriol via double hydroxylation in the body.") @@ -74050,6 +74918,42 @@ SubClassOf( ObjectSomeValuesFrom( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (chlorophyll b) + +AnnotationAssertion( "0") +AnnotationAssertion( "C55H70MgN4O6") +AnnotationAssertion( "InChI=1S/C55H71N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-33,36,40,51H,1,13-24,26H2,2-11H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b34-25+;/t32-,33-,36+,40+,51-;/m1./s1") +AnnotationAssertion( "NSMUHPMZFPKNMZ-VBYMZDBQSA-M") +AnnotationAssertion( "907.47266") +AnnotationAssertion( "907.47300") +AnnotationAssertion( "906.51458") +AnnotationAssertion( "CCC1=C(C=O)C2=Cc3c(C=C)c(C)c4C=C5[C@@H](C)[C@H](CCC(=O)OC\\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C6=[N+]5[Mg--]5(n34)n3c(=CC1=[N+]25)c(C)c1C(=O)[C@H](C(=O)OC)C6=c31") +AnnotationAssertion( "CHEBI:23158") +AnnotationAssertion( "CHEBI:3632") +AnnotationAssertion( "CHEBI:48802") +AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1208909") +AnnotationAssertion(Annotation( "Beilstein") "Beilstein:4651995") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:519-62-0") +AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:519-62-0") +AnnotationAssertion( "COMe:MOL000004") +AnnotationAssertion(Annotation( "Gmelin") "Gmelin:632951") +AnnotationAssertion( "KEGG:C05307") +AnnotationAssertion( "KNApSAcK:C00007376") +AnnotationAssertion( "PDBeChem:CHL") +AnnotationAssertion(Annotation( "PDBeChem") "CHLOROPHYLL B") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Chlorophyll b") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "[methyl (3S,4S,21R)-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)phorbine-21-carboxylatato(2-)-kappa(4)N(23),N(24),N(25),N(26)]magnesium") +AnnotationAssertion(Annotation( "JCBN") "chlorophyll b") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChemIDplus") "(SP-4-2)-((2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl (3S,4S,21R)-9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(2-)-kappaN(23),kappaN(24),kappaN(25),kappaN(26))-magnesium") +AnnotationAssertion( "CHEBI:27888") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "chlorophyll b") +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (lead(0)) AnnotationAssertion( "0") @@ -76964,6 +77868,44 @@ SubClassOf( ) SubClassOf( ) +# Class: (alloxanthine) + +AnnotationAssertion( "A pyrazolopyrimidine that is 4,5,6,7-tetrahydro-H-pyrazolo[3,4-d]pyrimidine substituted by oxo groups at positions 4 and 6.") +AnnotationAssertion( "0") +AnnotationAssertion( "C5H4N4O2") +AnnotationAssertion( "InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)") +AnnotationAssertion( "HXNFUBHNUDHIGC-UHFFFAOYSA-N") +AnnotationAssertion( "152.11090") +AnnotationAssertion( "152.03343") +AnnotationAssertion( "O=c1[nH]c2[nH]ncc2c(=O)[nH]1") +AnnotationAssertion( "CHEBI:22360") +AnnotationAssertion( "CHEBI:2603") +AnnotationAssertion( "BPDB:2154") +AnnotationAssertion(Annotation( "Beilstein") "Beilstein:139956") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:2465-59-0") +AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:2465-59-0") +AnnotationAssertion( "HMDB:HMDB0000786") +AnnotationAssertion( "KEGG:C07599") +AnnotationAssertion( "KEGG:D02365") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:18484017") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:23751350") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:24184830") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:24591375") +AnnotationAssertion(Annotation( "Reaxys") "Reaxys:139956") +AnnotationAssertion( "Wikipedia:Oxypurinol") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Alloxanthine") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Oxipurinol") +AnnotationAssertion(Annotation( "ChemIDplus") "Oxoallopurinol") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Oxypurinol") +AnnotationAssertion( "CHEBI:28315") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "alloxanthine") +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (D-galactosamine) AnnotationAssertion( "The D-stereoisomer of galactosamine.") @@ -79594,6 +80536,24 @@ SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (rubber particle) + +AnnotationAssertion( "A polymer consisting of cis-linked prenyl units.") +AnnotationAssertion( "0") +AnnotationAssertion( "(C5H8)n.H2") +AnnotationAssertion( "CHEBI:26584") +AnnotationAssertion( "CHEBI:8905") +AnnotationAssertion( "KEGG:C02321") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Rubber particle") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Rubber") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Rubber (all-cis)") +AnnotationAssertion( "CHEBI:28798") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "rubber particle") +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (N-acetylgalactosamine) AnnotationAssertion( "0") @@ -80879,6 +81839,7 @@ AnnotationAssertion( ) AnnotationAssertion(rdfs:label "ganglioside") SubClassOf( ) +SubClassOf( ) SubClassOf( ) # Class: (busulfan) @@ -81627,6 +82588,33 @@ AnnotationAssertion(rdfs:label "dic SubClassOf( ) SubClassOf( ) +# Class: (chlorophyll) + +AnnotationAssertion( "A family of magnesium porphyrins, defined by the presence of a fifth ring beyond the four pyrrole-like rings. The rings can have various side chains which usually include a long phytol chain.") +AnnotationAssertion( "0") +AnnotationAssertion( "C49H58MgN4O5R4") +AnnotationAssertion( "807.316") +AnnotationAssertion( "806.42576") +AnnotationAssertion( "C1=2N3C(C=C4[N+]5=C(C=C6N7C8=C(C9=[N+](C(=C1)[C@H]([C@@H]9CCC(OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)\\C)=O)C)[Mg-2]735)[C@H](C(C8=C6C)=O)C(=O)OC)C(=C4*)*)=C(C2*)*") +AnnotationAssertion( "CHEBI:13973") +AnnotationAssertion( "CHEBI:23161") +AnnotationAssertion( "CHEBI:3630") +AnnotationAssertion( "CHEBI:3635") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:1406-65-1") +AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:1406-65-1") +AnnotationAssertion( "COMe:MOL000012") +AnnotationAssertion( "KEGG:C01793") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:29286160") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Chlorophyll") +AnnotationAssertion(Annotation( "JCBN") "chlorophyll") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "chlorophylls") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion( "CHEBI:28966") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "chlorophyll") +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (ampicillin) AnnotationAssertion( "A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-phenylacetamido group.") @@ -83482,6 +84470,32 @@ AnnotationAssertion(rdfs:label "tri SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (silicate(4-)) + +AnnotationAssertion( "-4") +AnnotationAssertion( "O4Si") +AnnotationAssertion( "InChI=1S/O4Si/c1-5(2,3)4/q-4") +AnnotationAssertion( "BPQQTUXANYXVAA-UHFFFAOYSA-N") +AnnotationAssertion( "92.08310") +AnnotationAssertion( "91.95878") +AnnotationAssertion( "[O-][Si]([O-])([O-])[O-]") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:17181-37-2") +AnnotationAssertion(Annotation( "Gmelin") "Gmelin:2005") +AnnotationAssertion( "MolBase:1838") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "silicate") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tetraoxidosilicate(4-)") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "Orthosilikat") +AnnotationAssertion(Annotation( "IUPAC") "SiO4(4-)") +AnnotationAssertion(Annotation( "ChEBI") "Silikat") +AnnotationAssertion(Annotation( "IUPAC") "[SiO4](4-)") +AnnotationAssertion(Annotation( "ChEBI") "orthosilicate") +AnnotationAssertion( "CHEBI:29241") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "silicate(4-)") +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (arsenite(1-)) AnnotationAssertion( "An arsenite ion resulting from the removal of a proton from one of the hydroxy groups of arsenous acid.") @@ -86052,6 +87066,37 @@ SubClassOf( ObjectSomeValuesFrom( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (bacteriochlorophyll a) + +AnnotationAssertion( "0") +AnnotationAssertion( "C55H74MgN4O6") +AnnotationAssertion( "InChI=1S/C55H75N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3;/h25,27-32,34-35,39-40,51H,13-24,26H2,1-12H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b33-25+;/t31-,32-,34-,35+,39-,40+,51-;/m1./s1") +AnnotationAssertion( "DSJXIQQMORJERS-AGGZHOMASA-M") +AnnotationAssertion( "911.50400") +AnnotationAssertion( "910.54588") +AnnotationAssertion( "CC[C@@H]1[C@@H](C)C2=Cc3c(C(C)=O)c(C)c4C=C5[C@@H](C)[C@H](CCC(=O)OC\\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C6=[N+]5[Mg--]5(n34)n3c(=CC1=[N+]25)c(C)c1C(=O)[C@H](C(=O)OC)C6=c31") +AnnotationAssertion( "CHEBI:22685") +AnnotationAssertion( "CHEBI:2974") +AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1208938") +AnnotationAssertion(Annotation( "Beilstein") "Beilstein:6048929") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:17499-98-8") +AnnotationAssertion( "COMe:MOL000001") +AnnotationAssertion( "DrugBank:DB01853") +AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1489014") +AnnotationAssertion( "KEGG:C11242") +AnnotationAssertion( "PDBeChem:BCL") +AnnotationAssertion(Annotation( "PDBeChem") "BACTERIOCHLOROPHYLL A") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "[methyl (3S,4S,13R,14R,21R)-9-acetyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-13,14-dihydrophorbine-21-carboxylatato(2-)-kappa4N(23),N(24),N(25),N(26)]magnesium") +AnnotationAssertion(Annotation( "JCBN") "bacteriochlorophyll a") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Bacterio-chlorophyll a") +AnnotationAssertion( "CHEBI:30033") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "bacteriochlorophyll a") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (divanadium pentaoxide) AnnotationAssertion( "0") @@ -86721,6 +87766,28 @@ AnnotationAssertion( "zinc(0)") SubClassOf( ) +# Class: (aluminium oxide) + +AnnotationAssertion( "0") +AnnotationAssertion( "Al2O3") +AnnotationAssertion( "101.961") +AnnotationAssertion( "101.94782") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:1344-28-1") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:1344-28-1") +AnnotationAssertion(Annotation( "Gmelin") "Gmelin:11099") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "aluminium(III) oxide") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "dialuminium trioxide") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "Al2O3") +AnnotationAssertion(Annotation( "ChEBI") "Aluminiumoxid") +AnnotationAssertion(Annotation( "ChEBI") "Tonerde") +AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "alumina") +AnnotationAssertion(Annotation( "ChemIDplus") "aluminum oxide") +AnnotationAssertion( "CHEBI:30187") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "aluminium oxide") +SubClassOf( ) + # Class: (trioxidosilicate(.1-)) AnnotationAssertion( "-1") @@ -86791,6 +87858,52 @@ AnnotationAssertion(rdfs:label "hel SubClassOf( ) SubClassOf( ) +# Class: (helium-3 atom) + +AnnotationAssertion( "The stable isotope of helium with relative atomic mass 3.016029. The least abundant (0.000137 atom percent) isotope of naturally occurring helium.") +AnnotationAssertion( "0") +AnnotationAssertion( "[3He]") +AnnotationAssertion( "InChI=1S/He/i1-1") +AnnotationAssertion( "SWQJXJOGLNCZEY-BJUDXGSMSA-N") +AnnotationAssertion( "3.016") +AnnotationAssertion( "3.01603") +AnnotationAssertion( "[3He]") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:14762-55-1") +AnnotationAssertion(Annotation( "Gmelin") "Gmelin:14208") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "helium-3") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(3)2He") +AnnotationAssertion(Annotation( "IUPAC") "(3)He") +AnnotationAssertion(Annotation( "ChemIDplus") "(3He)helium") +AnnotationAssertion(Annotation( "ChemIDplus") "helium, isotope of mass 3") +AnnotationAssertion(Annotation( "ChEBI") "helium-3") +AnnotationAssertion( "CHEBI:30218") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "helium-3 atom") +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + +# Class: (helion) + +AnnotationAssertion( "Nucleus of the (3)He atom.") +AnnotationAssertion( "+2") +AnnotationAssertion( "[3He]") +AnnotationAssertion( "InChI=1S/He/q+2/i1-1") +AnnotationAssertion( "LBDSXVIYZYSRII-BJUDXGSMSA-N") +AnnotationAssertion( "3.015") +AnnotationAssertion( "3.01493") +AnnotationAssertion( "[3He++]") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "helion") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "helium-3(2+)") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(3)He(2+)") +AnnotationAssertion(Annotation( "IUPAC") "h") +AnnotationAssertion( "CHEBI:30220") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "helion") +SubClassOf( ) +SubClassOf( ) + # Class: (nitrogen trifluoride) AnnotationAssertion( "0") @@ -88050,6 +89163,45 @@ AnnotationAssertion( "sulfur tetrafluoride") SubClassOf( ) +# Class: (sulfur hexafluoride) + +AnnotationAssertion( "A sulfur coordination entity consisting of six fluorine atoms attached to a central sulfur atom. It is the most potent greenhouse gas currently known, with a global warming potential of 23,900 times that of CO2 over a 100 year period (SF6 has an estimated lifetime in the atmosphere of between 800 and 3,000 years).") +AnnotationAssertion( "0") +AnnotationAssertion( "F6S") +AnnotationAssertion( "InChI=1S/F6S/c1-7(2,3,4,5)6") +AnnotationAssertion( "SFZCNBIFKDRMGX-UHFFFAOYSA-N") +AnnotationAssertion( "146.050") +AnnotationAssertion( "145.96249") +AnnotationAssertion( "FS(F)(F)(F)(F)F") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:2551-62-4") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:2551-62-4") +AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:4039") +AnnotationAssertion(Annotation( "Gmelin") "Gmelin:2752") +AnnotationAssertion( "KEGG:D05962") +AnnotationAssertion( "MolBase:971") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:25459612") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:25559529") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:25607376") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:25647411") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:25660738") +AnnotationAssertion(Annotation( "Reaxys") "Reaxys:7247840") +AnnotationAssertion( "Wikipedia:Sulfur_hexafluoride") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hexafluoridosulfur") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "sulfur hexafluoride") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "sulfur(6+) fluoride") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "sulfur(VI) fluoride") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "SF6") +AnnotationAssertion(Annotation( "KEGG_DRUG") Annotation( ) "Sonovue") +AnnotationAssertion(Annotation( "MolBase") "[SF6]") +AnnotationAssertion( "CHEBI:30496") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "sulfur hexafluoride") +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (beryllium atom) AnnotationAssertion( "Alkaline earth metal atom with atomic number 4.") @@ -97268,6 +98420,30 @@ AnnotationAssertion( "amide") SubClassOf( ) +# Class: (europium atom) + +AnnotationAssertion( "0") +AnnotationAssertion( "Eu") +AnnotationAssertion( "InChI=1S/Eu") +AnnotationAssertion( "OGPBJKLSAFTDLK-UHFFFAOYSA-N") +AnnotationAssertion( "151.96400") +AnnotationAssertion( "152.92124") +AnnotationAssertion( "[Eu]") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-53-1") +AnnotationAssertion(Annotation( "Gmelin") "Gmelin:16279") +AnnotationAssertion( "WebElements:Eu") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "europium") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "63Eu") +AnnotationAssertion(Annotation( "IUPAC") "Eu") +AnnotationAssertion(Annotation( "ChEBI") "europio") +AnnotationAssertion(Annotation( "ChEBI") "europium") +AnnotationAssertion( "CHEBI:32999") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "europium atom") +SubClassOf( ) +SubClassOf( ) + # Class: (chromium(6+)) AnnotationAssertion( "+6") @@ -98540,6 +99716,14 @@ AnnotationAssertion( "diatomic oxygen") SubClassOf( ) +# Class: (triatomic oxygen) + +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion( "CHEBI:33265") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "triatomic oxygen") +SubClassOf( ) + # Class: (diatomic nitrogen) AnnotationAssertion( "0") @@ -98962,6 +100146,38 @@ AnnotationAssertion(rdfs:label "rad SubClassOf( ) SubClassOf( ) +# Class: (monoatomic helium) + +AnnotationAssertion( "0") +AnnotationAssertion( "He") +AnnotationAssertion( "4.003") +AnnotationAssertion( "4.00260") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "elemental helium") +AnnotationAssertion( "CHEBI:33315") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "monoatomic helium") +SubClassOf( ) +SubClassOf( ) + +# Class: (helium(2+)) + +AnnotationAssertion( "+2") +AnnotationAssertion( "He") +AnnotationAssertion( "InChI=1S/He/q+2") +AnnotationAssertion( "LBDSXVIYZYSRII-UHFFFAOYSA-N") +AnnotationAssertion( "4.00260") +AnnotationAssertion( "4.00151") +AnnotationAssertion( "[He++]") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "helium(2+)") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "He(2+)") +AnnotationAssertion( "CHEBI:33316") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "helium(2+)") +SubClassOf( ) +SubClassOf( ) + # Class: (boron group element atom) AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "group 13 elements") @@ -98988,6 +100204,23 @@ AnnotationAssertion( "main group element atom") SubClassOf( ) +# Class: (lanthanoid atom) + +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "lanthanoids") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "Lanthanoid") +AnnotationAssertion(Annotation( "ChEBI") "Lanthanoide") +AnnotationAssertion(Annotation( "ChEBI") "Lanthanoidengruppe") +AnnotationAssertion(Annotation( "ChEBI") "Lanthanoidenreiche") +AnnotationAssertion(Annotation( "ChEBI") "Ln") +AnnotationAssertion(Annotation( "ChEBI") "lanthanide") +AnnotationAssertion(Annotation( "ChEBI") "lanthanides") +AnnotationAssertion(Annotation( "ChEBI") "lanthanoid") +AnnotationAssertion( "CHEBI:33319") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "lanthanoid atom") +SubClassOf( ) + # Class: (actinoid atom) AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "actinoids") @@ -99007,6 +100240,16 @@ AnnotationAssertion( "actinoid atom") SubClassOf( ) +# Class: (rare earth metal atom) + +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "rare earth metals") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "rare earth metal") +AnnotationAssertion( "CHEBI:33321") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "rare earth metal atom") +SubClassOf( ) + # Class: (strontium atom) AnnotationAssertion( "0") @@ -99041,6 +100284,19 @@ AnnotationAssertion(rdfs:label "sil SubClassOf( ) SubClassOf( ) +# Class: (silicon oxoacid) + +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "oxoacids of silicon") +AnnotationAssertion(Annotation( "ChEBI") "silicic acids") +AnnotationAssertion(Annotation( "ChEBI") "silicon oxoacids") +AnnotationAssertion( "CHEBI:33328") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "silicon oxoacid") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (silicon hydride) AnnotationAssertion(Annotation( "ChEBI") "silicon hydride") @@ -99052,6 +100308,71 @@ AnnotationAssertion(rdfs:label "sil SubClassOf( ) SubClassOf( ) +# Class: (yttrium atom) + +AnnotationAssertion( "0") +AnnotationAssertion( "Y") +AnnotationAssertion( "InChI=1S/Y") +AnnotationAssertion( "VWQVUPCCIRVNHF-UHFFFAOYSA-N") +AnnotationAssertion( "88.90585") +AnnotationAssertion( "88.90584") +AnnotationAssertion( "[Y]") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-65-5") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7440-65-5") +AnnotationAssertion(Annotation( "Gmelin") "Gmelin:16319") +AnnotationAssertion( "WebElements:Y") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "yttrium") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "39Y") +AnnotationAssertion(Annotation( "ChEBI") "Y") +AnnotationAssertion(Annotation( "ChEBI") "ytrio") +AnnotationAssertion(Annotation( "ChEBI") "yttrium") +AnnotationAssertion( "CHEBI:33331") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "yttrium atom") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) + +# Class: (scandium group element atom) + +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "group 3 elements") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "scandium group element") +AnnotationAssertion(Annotation( "ChEBI") "scandium group elements") +AnnotationAssertion( "CHEBI:33335") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "scandium group element atom") +SubClassOf( ) + +# Class: (lanthanum atom) + +AnnotationAssertion( "0") +AnnotationAssertion( "La") +AnnotationAssertion( "InChI=1S/La") +AnnotationAssertion( "FZLIPJUXYLNCLC-UHFFFAOYSA-N") +AnnotationAssertion( "138.90550") +AnnotationAssertion( "138.90636") +AnnotationAssertion( "[La]") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7439-91-0") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7439-91-0") +AnnotationAssertion(Annotation( "Gmelin") "Gmelin:16203") +AnnotationAssertion( "WebElements:La") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "lanthanum") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "57La") +AnnotationAssertion(Annotation( "ChEBI") "La") +AnnotationAssertion(Annotation( "ChEBI") "Lanthan") +AnnotationAssertion(Annotation( "ChEBI") "lantano") +AnnotationAssertion(Annotation( "ChEBI") "lanthane") +AnnotationAssertion(Annotation( "ChEBI") "lanthanum") +AnnotationAssertion( "CHEBI:33336") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "lanthanum atom") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) + # Class: (aryl group) AnnotationAssertion( "A group derived from an arene by removal of a hydrogen atom from a ring carbon atom.") @@ -99150,6 +100471,32 @@ AnnotationAssertion( "hafnium atom") SubClassOf( ) +# Class: (niobium atom) + +AnnotationAssertion( "0") +AnnotationAssertion( "Nb") +AnnotationAssertion( "InChI=1S/Nb") +AnnotationAssertion( "GUCVJGMIXFAOAE-UHFFFAOYSA-N") +AnnotationAssertion( "92.90638") +AnnotationAssertion( "92.90637") +AnnotationAssertion( "[Nb]") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-03-1") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7440-03-1") +AnnotationAssertion( "WebElements:Nb") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "niobium") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "41Nb") +AnnotationAssertion(Annotation( "IUPAC") "Nb") +AnnotationAssertion(Annotation( "ChEBI") "Niob") +AnnotationAssertion(Annotation( "ChEBI") "columbio") +AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "columbium") +AnnotationAssertion(Annotation( "ChEBI") "niobio") +AnnotationAssertion(Annotation( "ChEBI") "niobium") +AnnotationAssertion( "CHEBI:33344") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "niobium atom") +SubClassOf( ) + # Class: (titanium group element atom) AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "group 4 elements") @@ -99363,6 +100710,33 @@ AnnotationAssertion(rdfs:label "cop SubClassOf( ) SubClassOf( ) +# Class: (cerium) + +AnnotationAssertion( "0") +AnnotationAssertion( "Ce") +AnnotationAssertion( "InChI=1S/Ce") +AnnotationAssertion( "GWXLDORMOJMVQZ-UHFFFAOYSA-N") +AnnotationAssertion( "140.11600") +AnnotationAssertion( "139.90544") +AnnotationAssertion( "[Ce]") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-45-1") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7440-45-1") +AnnotationAssertion(Annotation( "Gmelin") "Gmelin:16275") +AnnotationAssertion( "WebElements:Ce") +AnnotationAssertion(Annotation( "ChEBI") "cerium") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "cerium") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "58Ce") +AnnotationAssertion(Annotation( "IUPAC") "Ce") +AnnotationAssertion(Annotation( "ChEBI") "Cer") +AnnotationAssertion(Annotation( "ChEBI") "Zer") +AnnotationAssertion(Annotation( "ChEBI") "cerio") +AnnotationAssertion( "CHEBI:33369") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "cerium") +SubClassOf( ) +SubClassOf( ) + # Class: (technetium-99) AnnotationAssertion( "0") @@ -99384,6 +100758,108 @@ AnnotationAssertion( "technetium-99") SubClassOf( ) +# Class: (neodymium atom) + +AnnotationAssertion( "0") +AnnotationAssertion( "Nd") +AnnotationAssertion( "InChI=1S/Nd") +AnnotationAssertion( "QEFYFXOXNSNQGX-UHFFFAOYSA-N") +AnnotationAssertion( "144.24000") +AnnotationAssertion( "141.90773") +AnnotationAssertion( "[Nd]") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-00-8") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7440-00-8") +AnnotationAssertion(Annotation( "Gmelin") "Gmelin:16212") +AnnotationAssertion( "WebElements:Nd") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "neodymium") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "60Nd") +AnnotationAssertion(Annotation( "IUPAC") "Nd") +AnnotationAssertion(Annotation( "ChEBI") "Neodym") +AnnotationAssertion(Annotation( "ChEBI") "neodimio") +AnnotationAssertion(Annotation( "ChEBI") "neodyme") +AnnotationAssertion(Annotation( "ChEBI") "neodymium") +AnnotationAssertion( "CHEBI:33372") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "neodymium atom") +SubClassOf( ) +SubClassOf( ) + +# Class: (samarium atom) + +AnnotationAssertion( "0") +AnnotationAssertion( "Sm") +AnnotationAssertion( "InChI=1S/Sm") +AnnotationAssertion( "KZUNJOHGWZRPMI-UHFFFAOYSA-N") +AnnotationAssertion( "150.36000") +AnnotationAssertion( "151.91974") +AnnotationAssertion( "[Sm]") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-19-9") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7440-19-9") +AnnotationAssertion(Annotation( "Gmelin") "Gmelin:16301") +AnnotationAssertion( "WebElements:Sm") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "samarium") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "62Sm") +AnnotationAssertion(Annotation( "IUPAC") "Sm") +AnnotationAssertion(Annotation( "ChEBI") "samario") +AnnotationAssertion(Annotation( "ChEBI") "samarium") +AnnotationAssertion( "CHEBI:33374") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "samarium atom") +SubClassOf( ) +SubClassOf( ) + +# Class: (gadolinium atom) + +AnnotationAssertion( "0") +AnnotationAssertion( "Gd") +AnnotationAssertion( "InChI=1S/Gd") +AnnotationAssertion( "UIWYJDYFSGRHKR-UHFFFAOYSA-N") +AnnotationAssertion( "157.25000") +AnnotationAssertion( "157.92411") +AnnotationAssertion( "[Gd]") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-54-2") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7440-54-2") +AnnotationAssertion(Annotation( "Gmelin") "Gmelin:16286") +AnnotationAssertion( "WebElements:Gd") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "gadolinium") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "64Gd") +AnnotationAssertion(Annotation( "IUPAC") "Gd") +AnnotationAssertion(Annotation( "ChEBI") "gadolinio") +AnnotationAssertion(Annotation( "ChEBI") "gadolinium") +AnnotationAssertion( "CHEBI:33375") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "gadolinium atom") +SubClassOf( ) +SubClassOf( ) + +# Class: (dysprosium atom) + +AnnotationAssertion( "0") +AnnotationAssertion( "Dy") +AnnotationAssertion( "InChI=1S/Dy") +AnnotationAssertion( "KBQHZAAAGSGFKK-UHFFFAOYSA-N") +AnnotationAssertion( "162.50000") +AnnotationAssertion( "163.92918") +AnnotationAssertion( "[Dy]") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7429-91-6") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7429-91-6") +AnnotationAssertion(Annotation( "Gmelin") "Gmelin:16278") +AnnotationAssertion( "WebElements:Dy") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "dysprosium") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "66Dy") +AnnotationAssertion(Annotation( "IUPAC") "Dy") +AnnotationAssertion(Annotation( "ChEBI") "disprosio") +AnnotationAssertion(Annotation( "ChEBI") "dysprosium") +AnnotationAssertion( "CHEBI:33377") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "dysprosium atom") +SubClassOf( ) +SubClassOf( ) + # Class: (L-serine zwitterion) AnnotationAssertion( "A serine zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-serine.") @@ -100092,6 +101568,16 @@ AnnotationAssertion(rdfs:label "act SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (uranium molecular entity) + +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "uranium molecular entities") +AnnotationAssertion( "CHEBI:33499") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "uranium molecular entity") +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (alkali metal cation) AnnotationAssertion( "chebi_ontology") @@ -100996,6 +102482,18 @@ AnnotationAssertion(rdfs:label "alu SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (aluminium oxides) + +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "aluminum oxides") +AnnotationAssertion(Annotation( "ChEBI") "oxides of aluminium") +AnnotationAssertion(Annotation( "ChEBI") "oxides of aluminum") +AnnotationAssertion( "CHEBI:33623") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "aluminium oxides") +SubClassOf( ) +SubClassOf( ) + # Class: (bromophenol) AnnotationAssertion( "A halophenol that is any phenol containing one or more covalently bonded bromine atoms.") @@ -101397,6 +102895,14 @@ SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (elemental helium) + +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion( "CHEBI:33680") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "elemental helium") +SubClassOf( ) + # Class: (hydrides) AnnotationAssertion( "Hydrides are chemical compounds of hydrogen with other chemical elements.") @@ -108871,6 +110377,16 @@ AnnotationAssertion(rdfs:label "tra SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (isotopic tracer) + +AnnotationAssertion( "A tracer which only differs in isotopic composition from the substance to be traced.") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "isotopic tracer") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion( "CHEBI:35206") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "isotopic tracer") +SubClassOf( ) + # Class: (physical tracer) AnnotationAssertion( "A physical tracer is one that is attached by physical means to the object being traced.") @@ -109656,6 +111172,17 @@ AnnotationAssertion(rdfs:label "ort SubClassOf( ) SubClassOf( ) +# Class: (epoxycarotenol) + +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "epoxycarotenoid") +AnnotationAssertion(Annotation( "ChEBI") "epoxycarotenols") +AnnotationAssertion( "CHEBI:35307") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "epoxycarotenol") +SubClassOf( ) +SubClassOf( ) + # Class: (pentoside) AnnotationAssertion(Annotation( "ChEBI") "pentoside") @@ -115078,6 +116605,26 @@ SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (cyclitol carboxylic acid) + +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "cyclitol carboxylic acids") +AnnotationAssertion( "CHEBI:36123") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "cyclitol carboxylic acid") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) + +# Class: (cyclitol carboxylic acid anion) + +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "cyclitol carboxylic acid anions") +AnnotationAssertion( "CHEBI:36125") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "cyclitol carboxylic acid anion") +SubClassOf( ) + # Class: (cyclohexenecarboxylate) AnnotationAssertion( "chebi_ontology") @@ -118575,6 +120122,50 @@ AnnotationAssertion( "elemental antimony") SubClassOf( ) +# Class: (carbon-14 atom) + +AnnotationAssertion( "0") +AnnotationAssertion( "[14C]") +AnnotationAssertion( "InChI=1S/C/i1+2") +AnnotationAssertion( "OKTJSMMVPCPJKN-NJFSPNSNSA-N") +AnnotationAssertion( "14.003") +AnnotationAssertion( "14.00324") +AnnotationAssertion( "[14C]") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:14762-75-5") +AnnotationAssertion( "Wikipedia:Carbon-14") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carbon-14") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(14)6C") +AnnotationAssertion(Annotation( "IUPAC") "(14)C") +AnnotationAssertion(Annotation( "ChemIDplus") "carbon, isotope of mass 14") +AnnotationAssertion(Annotation( "ChEBI") "carbon-14") +AnnotationAssertion( "CHEBI:36927") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "carbon-14 atom") +SubClassOf( ) + +# Class: (carbon-13 atom) + +AnnotationAssertion( "0") +AnnotationAssertion( "[13C]") +AnnotationAssertion( "InChI=1S/C/i1+1") +AnnotationAssertion( "OKTJSMMVPCPJKN-OUBTZVSYSA-N") +AnnotationAssertion( "13.003") +AnnotationAssertion( "13.00335") +AnnotationAssertion( "[13C]") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:14762-74-4") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carbon-13") +AnnotationAssertion(Annotation( "ChemIDplus") "carbon-13 atom") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "(13)6C") +AnnotationAssertion(Annotation( "IUPAC") "(13)C") +AnnotationAssertion(Annotation( "ChemIDplus") "carbon, isotope of mass 13") +AnnotationAssertion(Annotation( "ChEBI") "carbon-13") +AnnotationAssertion( "CHEBI:36928") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "carbon-13 atom") +SubClassOf( ) + # Class: (aryl phosphate) AnnotationAssertion( "chebi_ontology") @@ -120261,6 +121852,14 @@ AnnotationAssertion( "MRI contrast agent") SubClassOf( ) +# Class: (ultrasound contrast agent) + +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion( "CHEBI:37337") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "ultrasound contrast agent") +SubClassOf( ) + # Class: (radioopaque medium) AnnotationAssertion( "A substance having the property of absorbing, and therefore being opaque to, electromagnetic radiation, particularly X-rays.") @@ -120299,6 +121898,45 @@ AnnotationAssertion( "thorium dioxide") SubClassOf( ) +# Class: (phosphorus oxide) + +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "oxides of phosphorus") +AnnotationAssertion(Annotation( "ChEBI") "phosphorus oxides") +AnnotationAssertion( "CHEBI:37349") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "phosphorus oxide") +SubClassOf( ) + +# Class: (tetraphosphorus decaoxide) + +AnnotationAssertion( "0") +AnnotationAssertion( "O10P4") +AnnotationAssertion( "InChI=1S/O10P4/c1-11-5-12(2)8-13(3,6-11)10-14(4,7-11)9-12") +AnnotationAssertion( "DLYUQMMRRRQYAE-UHFFFAOYSA-N") +AnnotationAssertion( "283.88904") +AnnotationAssertion( "283.84419") +AnnotationAssertion( "O=P12OP3(=O)OP(=O)(O1)OP(=O)(O2)O3") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:16752-60-6") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:16752-60-6") +AnnotationAssertion(Annotation( "Gmelin") "Gmelin:4221") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tetraphosphorus decaoxide") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tricyclo[3.3.1.1(3,7)]tetraphosphoxane 1,3,5,7-tetraoxide") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "(P2O5)2") +AnnotationAssertion(Annotation( "ChEBI") "2,4,6,8,9,10-hexaoxa-1,3,5,7-tetraphosphatricyclo[3.3.1.1(3,7)]decane 1,3,5,7-tetraoxide") +AnnotationAssertion(Annotation( "IUPAC") "P4O10") +AnnotationAssertion(Annotation( "ChEBI") "Phosphor(V)-oxid") +AnnotationAssertion(Annotation( "ChEBI") "Phosphorpentoxid") +AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "diphosphorus pentoxide") +AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "phosphoric anhydride") +AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "phosphorus pentoxide") +AnnotationAssertion(Annotation( "IUPAC") "phosphorus(V) oxide") +AnnotationAssertion( "CHEBI:37376") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "tetraphosphorus decaoxide") +SubClassOf( ) + # Class: (phosphorus halide) AnnotationAssertion(Annotation( "ChEBI") "phosphorus halide") @@ -120395,6 +122033,18 @@ SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (copper coordination entity) + +AnnotationAssertion(Annotation( "ChEBI") "copper coordination entity") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "copper coordination compounds") +AnnotationAssertion(Annotation( "ChEBI") "copper coordination entities") +AnnotationAssertion( "CHEBI:37403") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "copper coordination entity") +SubClassOf( ) +SubClassOf( ) + # Class: (elemental copper) AnnotationAssertion( "chebi_ontology") @@ -121397,6 +123047,22 @@ AnnotationAssertion(rdfs:label "nit SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (allenes) + +AnnotationAssertion( "Any olefinic compound having two double bonds from one carbon atom to two others.") +AnnotationAssertion( "0") +AnnotationAssertion( "C3R4") +AnnotationAssertion( "36.03210") +AnnotationAssertion( "36.00000") +AnnotationAssertion( "[*]C([*])=C=C([*])[*]") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "allenes") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "R2C=C=CR2") +AnnotationAssertion( "CHEBI:37602") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "allenes") +SubClassOf( ) + # Class: (cis-octadec-9-ene) AnnotationAssertion( "0") @@ -124169,6 +125835,37 @@ AnnotationAssertion( "aminoalkylpyridine") SubClassOf( ) +# Class: (bacteriochlorophyll) + +AnnotationAssertion( "Chlorophylls of photosynthetic bacteria.") +AnnotationAssertion( "CHEBI:22687") +AnnotationAssertion( "CHEBI:2977") +AnnotationAssertion( "KEGG:C05799") +AnnotationAssertion(Annotation( "JCBN") "bacteriochlorophyll") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Bacterio-chlorophylls") +AnnotationAssertion(Annotation( "UniProt") "a bacteriochlorophyll") +AnnotationAssertion(Annotation( "ChEBI") "bacteriochlorophylls") +AnnotationAssertion( "CHEBI:38201") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "bacteriochlorophyll") +SubClassOf( ) + +# Class: (chlorophyllide) + +AnnotationAssertion( "Chlorophylls lacking the terpenoid side chain such as phytyl or farnesyl.") +AnnotationAssertion( "CHEBI:13975") +AnnotationAssertion( "CHEBI:23160") +AnnotationAssertion( "CHEBI:3634") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "Chlorophyllid") +AnnotationAssertion(Annotation( "ChEBI") "chlorophyllides") +AnnotationAssertion( "CHEBI:38206") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "chlorophyllide") +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (aminopyridine) AnnotationAssertion( "Compounds containing a pyridine skeleton substituted by one or more amine groups.") @@ -124180,6 +125877,28 @@ AnnotationAssertion(rdfs:label "ami SubClassOf( ) SubClassOf( ) +# Class: (chlorophyllide b) + +AnnotationAssertion( "0") +AnnotationAssertion( "C35H32MgN4O6") +AnnotationAssertion( "InChI=1S/C35H34N4O6.Mg/c1-7-18-15(3)22-11-23-16(4)20(9-10-28(41)42)32(38-23)30-31(35(44)45-6)34(43)29-17(5)24(39-33(29)30)12-26-19(8-2)21(14-40)27(37-26)13-25(18)36-22;/h7,11-14,16,20,31H,1,8-10H2,2-6H3,(H3,36,37,38,39,40,41,42,43);/q;+2/p-2/t16-,20-,31+;/m0./s1") +AnnotationAssertion( "QPDWBRHRBKXUNS-IEEIVXFASA-L") +AnnotationAssertion( "628.958") +AnnotationAssertion( "628.21723") +AnnotationAssertion( "C1=2N3C(C=C4N=C(C=C5N(C6=C(C7=NC(=C1)[C@H]([C@@H]7CCC(O)=O)C)[C@H](C(C6=C5C)=O)C(=O)OC)[Mg]3)C(=C4C(=O)[H])CC)=C(C2C)C=C") +AnnotationAssertion(Annotation( "Beilstein") "Beilstein:10054580") +AnnotationAssertion(Annotation( "Beilstein") "Beilstein:8967487") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:14428-12-7") +AnnotationAssertion( "KEGG:C16541") +AnnotationAssertion(Annotation( "JCBN") "chlorophyllide b") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "Chlorophyllid b") +AnnotationAssertion( "CHEBI:38209") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "chlorophyllide b") +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (aminonaphthalenesulfonic acid) AnnotationAssertion( "A naphthalenesulfonic acid having at least one amino substituent.") @@ -124367,6 +126086,41 @@ AnnotationAssertion( "DNA polymerase inhibitor") SubClassOf( ) +# Class: (magnesium tetrapyrrole) + +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "magnesium tetrapyrroles") +AnnotationAssertion( "CHEBI:38251") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "magnesium tetrapyrrole") +SubClassOf( ) +SubClassOf( ) + +# Class: (divinyl chlorophyllide a) + +AnnotationAssertion( "0") +AnnotationAssertion( "C35H32MgN4O5") +AnnotationAssertion( "InChI=1S/C35H34N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8-9,12-14,17,21,31H,1-2,10-11H2,3-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-2/t17-,21-,31+;/m0./s1") +AnnotationAssertion( "IQLDSMIBDORHSF-NYABAGMLSA-L") +AnnotationAssertion( "612.95700") +AnnotationAssertion( "612.22231") +AnnotationAssertion( "COC(=O)[C@H]1C(=O)c2c(C)c3C=C4C(C=C)=C(C)C5=[N+]4[Mg--]46n3c2C1=C1[C@@H](CCC(O)=O)[C@H](C)C(C=c2c(C)c(C=C)c(=C5)n42)=[N+]61") +AnnotationAssertion( "CHEBI:14185") +AnnotationAssertion( "CHEBI:29576") +AnnotationAssertion(Annotation( "Beilstein") "Beilstein:9984505") +AnnotationAssertion( "KEGG:C11832") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Divinyl chlorophyllide a") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "{3-[(3S,4S,21R)-9,14-diethenyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxophorbin-3-yl-kappa(4)N(23),N(24),N(25),N(26)]propanoato(2-)}magnesium") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "{3-[(3S,4S,21R)-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9,14-divinylphorbin-3-yl-kappa(4)N(23),N(24),N(25),N(26)]propanoato(2-)}magnesium") +AnnotationAssertion( "CHEBI:38259") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "divinyl chlorophyllide a") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (pyrrolidines) AnnotationAssertion( "Any of a class of heterocyclic amines having a saturated five-membered ring.") @@ -129393,6 +131147,22 @@ AnnotationAssertion(rdfs:label "Bro SubClassOf( ) SubClassOf( ) +# Class: (Lewis acid) + +AnnotationAssertion( "A molecular entity that is an electron-pair acceptor and therefore able to form a covalent bond with an electron-pair donor (Lewis base), thereby producing a Lewis adduct.") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "Lewis acid") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "Lewis-Saeure") +AnnotationAssertion(Annotation( "IUPAC") "accepteur d'une paire d'electrons") +AnnotationAssertion(Annotation( "IUPAC") "acide de Lewis") +AnnotationAssertion(Annotation( "ChEBI") "electron acceptor") +AnnotationAssertion(Annotation( "IUPAC") "electron-pair acceptor") +AnnotationAssertion( "CHEBI:39143") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "Lewis acid") +SubClassOf( ) +SubClassOf( ) + # Class: (Lewis base) AnnotationAssertion( "A molecular entity able to provide a pair of electrons and thus capable of forming a covalent bond with an electron-pair acceptor (Lewis acid), thereby producing a Lewis adduct.") @@ -130624,6 +132394,56 @@ AnnotationAssertion(rdfs:label "iod SubClassOf( ) SubClassOf( ) +# Class: (chloropicrin) + +AnnotationAssertion( "A C-nitro compound that is nitromethane in which all three hydrogens are replaced by chlorines. It is a severe irritant, and can cause immediate, severe inflammation of the eyes, nose and throat, and significant injuries to the upper and lower respiratory tract. Formerly stockpiled as a chemical warfare agent, it has been widely used in the US as a soil fumigant, particularly for strawberry crops. It is not approved for use within the European Union.") +AnnotationAssertion( "0") +AnnotationAssertion( "CCl3NO2") +AnnotationAssertion( "InChI=1S/CCl3NO2/c2-1(3,4)5(6)7") +AnnotationAssertion( "LFHISGNCFUNFFM-UHFFFAOYSA-N") +AnnotationAssertion( "164.37500") +AnnotationAssertion( "162.89946") +AnnotationAssertion( "[O-][N+](=O)C(Cl)(Cl)Cl") +AnnotationAssertion(Annotation( "ChemIDplus") "Beilstein:1756135") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:76-06-2") +AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:76-06-2") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:76-06-2") +AnnotationAssertion(Annotation( "Gmelin") "Gmelin:240197") +AnnotationAssertion( "KEGG:C18445") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:18207489") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:19287772") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:22516760") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:23958081") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:24475954") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:24548678") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:24618853") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:25279758") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:25531174") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:2920227") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:3605008") +AnnotationAssertion( "PPDB:148") +AnnotationAssertion(Annotation( "Alan Wood's Pesticides") "Pesticides:chloropicrin") +AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1756135") +AnnotationAssertion( "Wikipedia:Chloropicrin") +AnnotationAssertion(Annotation( "ChemIDplus") "chloropicrin") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "trichloro(nitro)methane") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "1,1,1-trichloronitromethane") +AnnotationAssertion(Annotation( "ChEBI") "CCl3NO2") +AnnotationAssertion(Annotation( "ChemIDplus") "Chlorpikrin") +AnnotationAssertion(Annotation( "ChEBI") "Cl3CNO2") +AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "Trichlornitromethan") +AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "trichloronitromethane") +AnnotationAssertion( "CHEBI:39285") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "chloropicrin") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (sulfuryl difluoride) AnnotationAssertion( "0") @@ -136879,6 +138699,15 @@ SubClassOf( ObjectSomeValuesFrom( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (peridinin) + +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion( "CHEBI:44882") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "peridinin") +SubClassOf( ) +SubClassOf( ) + # Class: (pentan-1-ol) AnnotationAssertion( "A short-chain primary fatty alcohol that is pentane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It has been isolated from Melicope ptelefolia.") @@ -140551,6 +142380,14 @@ AnnotationAssertion( "carboxy group") SubClassOf( ) +# Class: (silicon hydroxide) + +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion( "CHEBI:46890") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "silicon hydroxide") +SubClassOf( ) + # Class: (azetidinecarboxylic acid) AnnotationAssertion( "A member of the class of azetidines that is azetidine substituted by at least one carboxy group at unspecified position.") @@ -140832,6 +142669,21 @@ AnnotationAssertion(rdfs:label "N-m SubClassOf( ) SubClassOf( ) +# Class: (dioxane) + +AnnotationAssertion( "Any member of the class of dioxanes that is a cyclohexane in which two carbon atoms are replaced by oxygen atoms.") +AnnotationAssertion( "0") +AnnotationAssertion( "C4H8O2") +AnnotationAssertion( "88.105") +AnnotationAssertion( "88.05243") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "dioxane") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion( "CHEBI:46923") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "dioxane") +SubClassOf( ) +SubClassOf( ) + # Class: (dioxanes) AnnotationAssertion( "chebi_ontology") @@ -141279,6 +143131,57 @@ AnnotationAssertion( "dihydroxytetrahydrofuran") SubClassOf( ) +# Class: (1,4-dioxane) + +AnnotationAssertion( "A dioxane with oxygen atoms at positions 1 and 4.") +AnnotationAssertion( "0") +AnnotationAssertion( "C4H8O2") +AnnotationAssertion( "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2") +AnnotationAssertion( "RYHBNJHYFVUHQT-UHFFFAOYSA-N") +AnnotationAssertion( "88.10512") +AnnotationAssertion( "88.05243") +AnnotationAssertion( "C1COCCO1") +AnnotationAssertion( "CHEBI:34064") +AnnotationAssertion( "CHEBI:41951") +AnnotationAssertion( "CHEBI:46925") +AnnotationAssertion(Annotation( "Beilstein") "Beilstein:102551") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:123-91-1") +AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:123-91-1") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:123-91-1") +AnnotationAssertion( "DrugBank:DB03316") +AnnotationAssertion( "KEGG:C14440") +AnnotationAssertion( "LINCS:LSM-37087") +AnnotationAssertion( "PDBeChem:DIO") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:14550759") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:18044507") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:20598439") +AnnotationAssertion( "PPDB:1638") +AnnotationAssertion(Annotation( "Reaxys") "Reaxys:102551") +AnnotationAssertion( "Wikipedia:1,4-Dioxane") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "1,4-Dioxane") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "1,4-dioxane") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "PDBeChem") "1,4-DIETHYLENE DIOXIDE") +AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "1,4-Dioxan") +AnnotationAssertion(Annotation( "ChemIDplus") "1,4-dioxacyclohexane") +AnnotationAssertion(Annotation( "ChemIDplus") "Dioxan-1,4") +AnnotationAssertion(Annotation( "ChemIDplus") "di(ethylene oxide)") +AnnotationAssertion(Annotation( "ChemIDplus") "dioxane-1,4") +AnnotationAssertion(Annotation( "ChemIDplus") "glycol ethylene ether") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "p-Dioxane") +AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "tetrahydro-1,4-dioxin") +AnnotationAssertion(Annotation( "ChemIDplus") "tetrahydro-p-dioxin") +AnnotationAssertion(Annotation( "ChemIDplus") "tetrahydro-para-dioxin") +AnnotationAssertion( "CHEBI:47032") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "1,4-dioxane") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (hydroxycalciol) AnnotationAssertion(Annotation( "ChEBI") "hydroxycalciol") @@ -143872,6 +145775,33 @@ AnnotationAssertion( "polyene") SubClassOf( ) +# Class: (hydrogensilicate(3-)) + +AnnotationAssertion( "A trivalent inorganic anion obtained by removal of three protons from silicic acid.") +AnnotationAssertion( "-3") +AnnotationAssertion( "HO4Si") +AnnotationAssertion( "InChI=1S/HO4Si/c1-5(2,3)4/h1H/q-3") +AnnotationAssertion( "YXFLGHKCCDDCPJ-UHFFFAOYSA-N") +AnnotationAssertion( "93.09104") +AnnotationAssertion( "92.96606") +AnnotationAssertion( "O[Si]([O-])([O-])[O-]") +AnnotationAssertion(Annotation( "Gmelin") "Gmelin:2006") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogen(tetraoxidosilicate)(3-)") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydroxidotrioxidosilicate(3-)") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "HSiO4(3-)") +AnnotationAssertion(Annotation( "IUPAC") "[SiO3(OH)](3-)") +AnnotationAssertion(Annotation( "ChEBI") "hydrogen orthosilicate") +AnnotationAssertion(Annotation( "ChEBI") "hydrogen silicate") +AnnotationAssertion(Annotation( "IUPAC") "hydrogensilicate") +AnnotationAssertion( "CHEBI:48122") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "hydrogensilicate(3-)") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (silicate ion) AnnotationAssertion( "chebi_ontology") @@ -143880,6 +145810,60 @@ AnnotationAssertion( "silicate ion") SubClassOf( ) +# Class: (dihydrogensilicate(2-)) + +AnnotationAssertion( "A divalent inorganic anion obtained by removal of two protons from silicic acid.") +AnnotationAssertion( "-2") +AnnotationAssertion( "H2O4Si") +AnnotationAssertion( "InChI=1S/H2O4Si/c1-5(2,3)4/h1-2H/q-2") +AnnotationAssertion( "CEZYDDDHSRIKKZ-UHFFFAOYSA-N") +AnnotationAssertion( "94.09898") +AnnotationAssertion( "93.97333") +AnnotationAssertion( "O[Si](O)([O-])[O-]") +AnnotationAssertion(Annotation( "Gmelin") "Gmelin:2007") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "dihydrogen(tetraoxidosilicate)(2-)") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "dihydroxidodioxidosilicate(2-)") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "H2SiO4(2-)") +AnnotationAssertion(Annotation( "IUPAC") "[SiO2(OH)2](2-)") +AnnotationAssertion(Annotation( "ChEBI") "dihydrogen orthosilicate") +AnnotationAssertion(Annotation( "ChEBI") "dihydrogen silicate") +AnnotationAssertion(Annotation( "IUPAC") "dihydrogensilicate") +AnnotationAssertion( "CHEBI:48124") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "dihydrogensilicate(2-)") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) + +# Class: (trihydrogensilicate(1-)) + +AnnotationAssertion( "A monovalent inorganic anion that consists of silicic acid in which one of the four OH groups has been deprotonated.") +AnnotationAssertion( "-1") +AnnotationAssertion( "H3O4Si") +AnnotationAssertion( "InChI=1S/H3O4Si/c1-5(2,3)4/h1-3H/q-1") +AnnotationAssertion( "KPJHDISCEXZBKC-UHFFFAOYSA-N") +AnnotationAssertion( "95.10692") +AnnotationAssertion( "94.98061") +AnnotationAssertion( "O[Si](O)(O)[O-]") +AnnotationAssertion(Annotation( "Gmelin") "Gmelin:2008") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "trihydrogen(tetraoxidosilicate)(1-)") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "trihydroxidooxidosilicate(1-)") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "H3SiO4(-)") +AnnotationAssertion(Annotation( "IUPAC") "[SiO(OH)3](-)") +AnnotationAssertion(Annotation( "ChEBI") "trihydrogen orthosilicate") +AnnotationAssertion(Annotation( "ChEBI") "trihydrogen silicate") +AnnotationAssertion(Annotation( "IUPAC") "trihydrogensilicate") +AnnotationAssertion( "CHEBI:48125") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "trihydrogensilicate(1-)") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (tetracenomycin) AnnotationAssertion( "A polyketide based on a tetracene ring structure.") @@ -147918,6 +149902,34 @@ SubClassOf( ObjectSomeValuesFrom( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (praseodymium atom) + +AnnotationAssertion( "0") +AnnotationAssertion( "Pr") +AnnotationAssertion( "InChI=1S/Pr") +AnnotationAssertion( "PUDIUYLPXJFUGB-UHFFFAOYSA-N") +AnnotationAssertion( "140.90765") +AnnotationAssertion( "140.90766") +AnnotationAssertion( "[Pr]") +AnnotationAssertion( "CHEBI:33370") +AnnotationAssertion( "CHEBI:49827") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-10-0") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7440-10-0") +AnnotationAssertion( "WebElements:Pr") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "praseodymium") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "IUPAC") "59Pr") +AnnotationAssertion(Annotation( "IUPAC") "Pr") +AnnotationAssertion(Annotation( "ChEBI") "Praseodym") +AnnotationAssertion(Annotation( "ChEBI") "praseodimio") +AnnotationAssertion(Annotation( "ChEBI") "praseodyme") +AnnotationAssertion(Annotation( "ChEBI") "praseodymium") +AnnotationAssertion( "CHEBI:49828") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "praseodymium atom") +SubClassOf( ) +SubClassOf( ) + # Class: (fatty acid methyl ester) AnnotationAssertion( "A fatty acid ester that is the carboxylic ester obtained by the formal condensation of a fatty acid with methanol.") @@ -148008,6 +150020,55 @@ AnnotationAssertion(rdfs:label "ars SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (zinc dichloride) + +AnnotationAssertion( "A compound of zinc and chloride ions in the ratio 1:2. It exists in four crystalline forms, in each of which the Zn(2+) ions are trigonal planar coordinated to four chloride ions.") +AnnotationAssertion( "0") +AnnotationAssertion( "Cl2Zn") +AnnotationAssertion( "InChI=1S/2ClH.Zn/h2*1H;/q;;+2/p-2") +AnnotationAssertion( "JIAARYAFYJHUJI-UHFFFAOYSA-L") +AnnotationAssertion( "136.29540") +AnnotationAssertion( "133.86685") +AnnotationAssertion( "[Cl-].[Cl-].[Zn++]") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7646-85-7") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7646-85-7") +AnnotationAssertion(Annotation( "Gmelin") "Gmelin:430396") +AnnotationAssertion( "KEGG:D02058") +AnnotationAssertion( "MolBase:1125") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:23021350") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:23399499") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:23471775") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:23514640") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:23546181") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:23574241") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:23739012") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:23761032") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:23763136") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:29079364") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:7615984") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:9730919") +AnnotationAssertion( "Wikipedia:Zinc_Chloride") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "zinc dichloride") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "zinc(2+) chloride") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "zinc(II) chloride") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChemIDplus") "Zinkchlorid") +AnnotationAssertion(Annotation( "IUPAC") "ZnCl2") +AnnotationAssertion(Annotation( "ChemIDplus") "butter of zinc") +AnnotationAssertion(Annotation( "ChemIDplus") "chlorure de zinc") +AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "dichlorozinc") +AnnotationAssertion(Annotation( "ChemIDplus") "zinc chloride") +AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "zinc chloride, anhydrous") +AnnotationAssertion( "CHEBI:49976") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "zinc dichloride") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (fenarimol) AnnotationAssertion( "A racemate comprising equimolar amounts of (R)- and (S)-fenarimol. A sterol demethylation inhibitor, it is used as a fungicide for the treatment of blackspot, mildew and rust in tomatoes, peppers and melons, but is not approved for use within the European Union.") @@ -150788,6 +152849,24 @@ AnnotationAssertion( "alkyl alcohol") SubClassOf( ) +# Class: (carbon nanotube) + +AnnotationAssertion( "A molecule consisting of a graphene cylinder or two or more concentric graphene cylinders.") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "CNT") +AnnotationAssertion(Annotation( "ChEBI") "Kohlenstoffnanoroehre") +AnnotationAssertion(Annotation( "ChEBI") "Kohlenstoffnanoroehren") +AnnotationAssertion(Annotation( "ChEBI") "carbon nanotubes") +AnnotationAssertion(Annotation( "ChEBI") "nanotube de carbone") +AnnotationAssertion(Annotation( "ChEBI") "nanotubes de carbone") +AnnotationAssertion(Annotation( "ChEBI") "nanotubo de carbono") +AnnotationAssertion(Annotation( "ChEBI") "nanotubos de carbono") +AnnotationAssertion( "CHEBI:50594") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "carbon nanotube") +SubClassOf( ) +SubClassOf( ) + # Class: (dityrosine) AnnotationAssertion( "A biphenyl compound comprising two tyrosine residues linked at carbon-3 of their benzene rings.") @@ -151869,6 +153948,19 @@ AnnotationAssertion( "nanostructure") SubClassOf( ) +# Class: (nanotube) + +AnnotationAssertion( "A nanometre sized tube composed of either organic or inorganic substances.") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "Nanoroehre") +AnnotationAssertion(Annotation( "ChEBI") "Nanoroehren") +AnnotationAssertion(Annotation( "ChEBI") "nanotubo") +AnnotationAssertion(Annotation( "ChEBI") "nanotubos") +AnnotationAssertion( "CHEBI:50796") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "nanotube") +SubClassOf( ) + # Class: (nanoparticle) AnnotationAssertion( "A nanosized spherical or capsule-shaped structure.") @@ -154524,6 +156616,41 @@ SubClassOf( ) SubClassOf( ) +# Class: (phthalocyanines) + +AnnotationAssertion( "Compounds containing a phthalocyanine skeleton.") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "Phthalocyanine") +AnnotationAssertion(Annotation( "ChEBI") "Phthalozyanine") +AnnotationAssertion(Annotation( "ChEBI") "ftalocianinas") +AnnotationAssertion( "CHEBI:51580") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "phthalocyanines") +SubClassOf( ) + +# Class: (metallophthalocyanines) + +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion( "CHEBI:51584") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "metallophthalocyanines") +SubClassOf( ) +SubClassOf( ) + +# Class: (metallophthalocyanine) + +AnnotationAssertion( "0") +AnnotationAssertion( "C32H16N8") +AnnotationAssertion( "512.52300") +AnnotationAssertion( "512.14979") +AnnotationAssertion( "c1ccc2c(c1)C1=Nc3n4c(N=C5c6ccccc6C6=[N]5*44[N]1=C2N=c1n4c(=N6)c2ccccc12)c1ccccc31") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "Metall-Phthalocyanin") +AnnotationAssertion( "CHEBI:51585") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "metallophthalocyanine") +SubClassOf( ) + # Class: (diarylmethane) AnnotationAssertion( "Any compound containing two aryl groups connected by a single C atom.") @@ -154830,6 +156957,73 @@ AnnotationAssertion(rdfs:label "met SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (fucoxanthin) + +AnnotationAssertion( "An epoxycarotenol that is found in brown seaweed and which exhibits anti-cancer, anti-diabetic, anti-oxidative and neuroprotective properties.") +AnnotationAssertion( "0") +AnnotationAssertion( "C42H58O6") +AnnotationAssertion( "InChI=1S/C42H58O6/c1-29(18-14-19-31(3)22-23-37-38(6,7)26-35(47-33(5)43)27-40(37,10)46)16-12-13-17-30(2)20-15-21-32(4)36(45)28-42-39(8,9)24-34(44)25-41(42,11)48-42/h12-22,34-35,44,46H,24-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+/t23-,34-,35-,40+,41+,42-/m0/s1") +AnnotationAssertion( "SJWWTRQNNRNTPU-XJUZQKKNSA-N") +AnnotationAssertion( "658.90632") +AnnotationAssertion( "658.42334") +AnnotationAssertion( "[H]C(=C=C1C(C)(C)C[C@@H](C[C@@]1(C)O)OC(C)=O)C(\\C)=C\\C=C\\C(C)=C\\C=C\\C=C(C)\\C=C\\C=C(/C)C(=O)C[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C") +AnnotationAssertion( "CHEBI:67925") +AnnotationAssertion(Annotation( "Beilstein") "Beilstein:6580822") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:3351-86-8") +AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:3351-86-8") +AnnotationAssertion( "KEGG:C08596") +AnnotationAssertion( "KNApSAcK:C00003773") +AnnotationAssertion(Annotation( "LIPID MAPS") "LIPID_MAPS_instance:LMPR01070300") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:16786166") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:17436581") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:18230364") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:19264501") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:19797858") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:27283644") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:27399729") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:27430384") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:27455130") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:27590588") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:27785684") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:27914891") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:27960297") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:28070550") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:28212270") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:28373414") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:28382818") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:28387741") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:28389351") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:28429775") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:28469544") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:28478680") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:28642129") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:28850007") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:28865626") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:28928905") +AnnotationAssertion(Annotation( "Reaxys") "Reaxys:6580822") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "(3S,5R,6S,3'S,5'R,6'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,6-epoxy-5,6,7,8,5',6'-hexahydro-beta,beta-caroten-3'-yl acetate") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Fucoxanthin") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "CBN") "(3'S,5'R,6'R)-3'-acetoxy-5,6-epoxy-3,5'-dihydroxy-6',7'-didehydro-5,6,7,8,5',6'-hexahydro-beta,beta-caroten-8-one") +AnnotationAssertion(Annotation( "ChemIDplus") "(3S,3'S,5R,5'R,6S,6'R)-3'-(acetyloxy)-6',7'-didehydro-5,6-epoxy-5,5',6,6',7,8-hexahydro-3,5'-dihydroxy-8-oxo-beta,beta-carotene") +AnnotationAssertion( "CHEBI:5186") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "fucoxanthin") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (dexmethylphenidate) AnnotationAssertion( "A methyl phenyl(piperidin-2-yl)acetate in which both stereocentres have R configuration. It is the active enantiomer in the racemic drug methylphenidate.") @@ -157354,6 +159548,117 @@ AnnotationAssertion( "ionic macromolecule") SubClassOf( ) +# Class: (poly(hydroxyalkanoate)) + +AnnotationAssertion( "A polymer composed of repeating hydroxyalkanoyl units.") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "SUBMITTER") "PHAs") +AnnotationAssertion(Annotation( "SUBMITTER") "poly(hydroxyalkanoate)s") +AnnotationAssertion(Annotation( "SUBMITTER") "polyhydroxyalkanoate") +AnnotationAssertion(Annotation( "SUBMITTER") "polyhydroxyalkanoates") +AnnotationAssertion( "CHEBI:53387") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "poly(hydroxyalkanoate)") +SubClassOf( ) + +# Class: (poly(hydroxybutyrate)) + +AnnotationAssertion( "A polymer composed of repeating hydroxybutyryl units.") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "SUBMITTER") "PHB") +AnnotationAssertion(Annotation( "SUBMITTER") "PHBs") +AnnotationAssertion(Annotation( "SUBMITTER") "poly(hydroxy butyrate)") +AnnotationAssertion(Annotation( "SUBMITTER") "poly(hydroxy butyrate)s") +AnnotationAssertion(Annotation( "SUBMITTER") "poly(hydroxybutyrate)s") +AnnotationAssertion(Annotation( "SUBMITTER") "polyhydroxy butyrate") +AnnotationAssertion(Annotation( "SUBMITTER") "polyhydroxy butyrates") +AnnotationAssertion(Annotation( "SUBMITTER") "polyhydroxybutyrate") +AnnotationAssertion(Annotation( "SUBMITTER") "polyhydroxybutyrates") +AnnotationAssertion( "CHEBI:53388") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "poly(hydroxybutyrate)") +SubClassOf( ) + +# Class: (poly(alkylene vinylene) macromolecule) + +AnnotationAssertion( "A macromolecule with the general formula (-CR2-CR=C(R)CR2-)n where R=H or an alkyl group.") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "poly(alkylene vinylene)") +AnnotationAssertion(Annotation( "ChEBI") "polyalkylene vinylene") +AnnotationAssertion(Annotation( "SUBMITTER") "polyalkylene vinylenes") +AnnotationAssertion(Annotation( "SUBMITTER") "polyalkylenevinylene") +AnnotationAssertion(Annotation( "SUBMITTER") "polyalkylenevinylenes") +AnnotationAssertion( "CHEBI:53404") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "poly(alkylene vinylene) macromolecule") +SubClassOf( ) + +# Class: (poly(isoprene) macromolecule) + +AnnotationAssertion( "A macromolecule composed of repeating 2-methylbut-2-ene units.") +AnnotationAssertion( "0") +AnnotationAssertion( "(C5H8)n") +AnnotationAssertion(Annotation( "Beilstein") "Beilstein:8387995") +AnnotationAssertion(Annotation( "Beilstein") "Beilstein:9546571") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:9006-04-6") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "poly(1-methylbut-1-ene-1,4-diyl)") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "polyisoprene") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChemIDplus") "Natural rubber") +AnnotationAssertion(Annotation( "ChemIDplus") "Polyisoprene") +AnnotationAssertion(Annotation( "ChemIDplus") "Rubber") +AnnotationAssertion(Annotation( "ChEBI") "poly(isoprene)") +AnnotationAssertion(Annotation( "SUBMITTER") "poly(isoprene)s") +AnnotationAssertion(Annotation( "ChEBI") "polyisoprenes") +AnnotationAssertion( "CHEBI:53405") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "poly(isoprene) macromolecule") +SubClassOf( ) + +# Class: (cis-1,4-polyisoprene) + +AnnotationAssertion( "A polymer composed of repeating cis-2-methylbut-2-ene units.") +AnnotationAssertion( "0") +AnnotationAssertion( "(C5H8)n.H2") +AnnotationAssertion(Annotation( "Beilstein") "Beilstein:10767314") +AnnotationAssertion( "MetaCyc:cis-14-isoprene") +AnnotationAssertion(Annotation( "Reaxys") "Reaxys:10767314") +AnnotationAssertion(Annotation( "UniProt") "cis-1,4-polyisoprene") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "poly[(2Z)-2-methylbut-2-ene-1,4-diyl]") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "MetaCyc") "poly(cis-1,4-isoprene)") +AnnotationAssertion(Annotation( "SUBMITTER") "poly(isoprene)") +AnnotationAssertion( "CHEBI:53406") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "cis-1,4-polyisoprene") +SubClassOf( ) + +# Class: (methyl cellulose) + +AnnotationAssertion( "A (1->4)-beta-D-glucan compound formed by methylating cellulose through exposure to NaOH/CH3Cl.") +AnnotationAssertion( "0") +AnnotationAssertion( "(C9H16O5)n") +AnnotationAssertion(Annotation( "Beilstein") "Beilstein:11200258") +AnnotationAssertion(Annotation( "Beilstein") "Beilstein:8189187") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:9004-67-5") +AnnotationAssertion(Annotation( "KEGG DRUG") "CAS:9004-67-5") +AnnotationAssertion( "KEGG:D04996") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChemIDplus") "Cellulose methyl") +AnnotationAssertion(Annotation( "ChemIDplus") "Cellulose methylate") +AnnotationAssertion(Annotation( "SUBMITTER") "E461") +AnnotationAssertion(Annotation( "ChEBI") Annotation( ) "Methylcellulose") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Methylcellulosum") +AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Metilcelulosa") +AnnotationAssertion(Annotation( "SUBMITTER") "cellulose methyl ether") +AnnotationAssertion(Annotation( "SUBMITTER") "methylated cellulose") +AnnotationAssertion(Annotation( "SUBMITTER") "methylcellulose") +AnnotationAssertion( "CHEBI:53448") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "methyl cellulose") +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (all-cis-docosa-7,10,13,16-tetraenoic acid) AnnotationAssertion( "The all-cis-isomer of a C22 polyunsaturated fatty acid having four double bonds in the 7-, 10-, 13- and 16-positions. One of the most abundant fatty acids in the early human brain.") @@ -161833,6 +164138,25 @@ SubClassOf( ObjectSomeValuesFrom( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (chlorophyllide a(1-)) + +AnnotationAssertion( "A cyclic tetrapyrrole anion that is the conjugate base of chlorophyllide a arising from deprotonation of the carboxy group; major species at pH 7.3.") +AnnotationAssertion( "-1") +AnnotationAssertion( "C35H33MgN4O5") +AnnotationAssertion( "InChI=1S/C35H36N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8,12-14,17,21,31H,1,9-11H2,2-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-3/t17-,21-,31+;/m0./s1") +AnnotationAssertion( "ANWUQYTXRXCEMZ-NYABAGMLSA-K") +AnnotationAssertion( "613.96600") +AnnotationAssertion( "613.23069") +AnnotationAssertion( "CCC1=C(C)C2=[N+]3C1=Cc1c(C)c4C(=O)[C@H](C(=O)OC)C5=C6[C@@H](CCC([O-])=O)[C@H](C)C7=[N+]6[Mg--]3(n1c45)n1c(=C7)c(C)c(C=C)c1=C2") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "chlorophyllide a anion") +AnnotationAssertion( "CHEBI:57942") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "chlorophyllide a(1-)") +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (NADH(2-)) AnnotationAssertion( "Dianion of NADH arising from deprotonation of the two diphosphate OH groups; major species at pH 7.3.") @@ -163633,6 +165957,26 @@ SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (chlorophyll a(1-)) + +AnnotationAssertion( "A cyclic tetrapyrrole anion arising from deprotonation at the 21-position of chlorophyll a.") +AnnotationAssertion( "-1") +AnnotationAssertion( "C55H71MgN4O5") +AnnotationAssertion( "InChI=1S/C55H72N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-2;+2/p-1/b34-26+;/t32-,33-,37+,41+;/m1./s1") +AnnotationAssertion( "VSRAJQZEEBBURZ-ONWAGYJKSA-M") +AnnotationAssertion( "892.48100") +AnnotationAssertion( "891.52804") +AnnotationAssertion( "CCC1=C(C)C2=Cc3c(C=C)c(C)c4C=C5[C@@H](C)[C@H](CCC(=O)OC\\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C6=[N+]5[Mg--]5(n34)n3c(=CC1=[N+]25)c(C)c1C(=O)[C-](C(=O)OC)C6=c31") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "UniProt") "chlorophyll a") +AnnotationAssertion( "CHEBI:58416") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "chlorophyll a(1-)") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (4-hydroxy-L-proline zwitterion) AnnotationAssertion( "The amino acid zwitterion formed from 4-hydroxy-L-proline. It is the major microspecies present at pH 7.3.") @@ -164338,6 +166682,44 @@ SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (chlorophyllide b(1-)) + +AnnotationAssertion( "A cyclic tetrapyrrole anion that is the conjugate base of chlorophyllide b, arising from deprotonation of the carboxy group.") +AnnotationAssertion( "-1") +AnnotationAssertion( "C35H31MgN4O6") +AnnotationAssertion( "InChI=1S/C35H34N4O6.Mg/c1-7-18-15(3)22-11-23-16(4)20(9-10-28(41)42)32(38-23)30-31(35(44)45-6)34(43)29-17(5)24(39-33(29)30)12-26-19(8-2)21(14-40)27(37-26)13-25(18)36-22;/h7,11-14,16,20,31H,1,8-10H2,2-6H3,(H3,36,37,38,39,40,41,42,43);/q;+2/p-3/t16-,20-,31+;/m0./s1") +AnnotationAssertion( "QPDWBRHRBKXUNS-IEEIVXFASA-K") +AnnotationAssertion( "627.950") +AnnotationAssertion( "627.20995") +AnnotationAssertion( "C=12N3C(=CC4=NC(=CC=5N(C=6C(=C7N=C(C1)[C@H]([C@@H]7CCC([O-])=O)C)[C@H](C(C6C5C)=O)C(=O)OC)[Mg]3)C(=C4C=O)CC)C(=C2C)C=C") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "chlorophyllide b anion") +AnnotationAssertion( "CHEBI:58686") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "chlorophyllide b(1-)") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) + +# Class: (divinyl chlorophyllide a(1-)) + +AnnotationAssertion( "A cyclic tetrapyrrole anion that is the conjugate base of divinyl chlorophyllide a, arising from deprotonation of the carboxy group.") +AnnotationAssertion( "-1") +AnnotationAssertion( "C35H31MgN4O5") +AnnotationAssertion( "InChI=1S/C35H34N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8-9,12-14,17,21,31H,1-2,10-11H2,3-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-3/t17-,21-,31+;/m0./s1") +AnnotationAssertion( "IQLDSMIBDORHSF-NYABAGMLSA-K") +AnnotationAssertion( "611.95000") +AnnotationAssertion( "611.21504") +AnnotationAssertion( "COC(=O)[C@H]1C(=O)c2c(C)c3C=C4C(C=C)=C(C)C5=[N+]4[Mg--]46n3c2C1=C1[C@@H](CCC([O-])=O)[C@H](C)C(C=c2c(C)c(C=C)c(=C5)n42)=[N+]61") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion( "CHEBI:58688") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "divinyl chlorophyllide a(1-)") +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (imidacloprid) AnnotationAssertion( "An imidazolidine that is N-nitroimidazolidin-2-imine bearing a (6-chloro-3-pyridinyl)methyl substituent at position 1.") @@ -165813,7 +168195,7 @@ AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "MCFA anion") AnnotationAssertion(Annotation( "ChEBI") "MCFA anions") -AnnotationAssertion(Annotation( "UniProt") "a medium chain fatty acid") +AnnotationAssertion(Annotation( "UniProt") "a medium-chain fatty acid") AnnotationAssertion(Annotation( "ChEBI") "medium-chain FA anion") AnnotationAssertion(Annotation( "ChEBI") "medium-chain FA anions") AnnotationAssertion(Annotation( "ChEBI") "medium-chain fatty acid anions") @@ -166380,6 +168762,19 @@ AnnotationAssertion( "nucleotide-sugar oxoanion") SubClassOf( ) +# Class: (electrophilic reagent) + +AnnotationAssertion( "A reagent that forms a bond to its reaction partner (the nucleophile) by accepting both bonding electrons from that reaction partner.") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "electrophile") +AnnotationAssertion(Annotation( "ChEBI") "electrophiles") +AnnotationAssertion(Annotation( "ChEBI") "electrophilic reagents") +AnnotationAssertion( "CHEBI:59739") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "electrophilic reagent") +SubClassOf( ) +SubClassOf( ) + # Class: (nucleophilic reagent) AnnotationAssertion( "A reagent that forms a bond to its reaction partner (the electrophile) by donating both bonding electrons.") @@ -170500,6 +172895,47 @@ SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (bacteriochlorophyll a(1-)) + +AnnotationAssertion( "The cyclic tetrapyrrole anion that is bacteriochlorophyll a protonated to pH 7.3.") +AnnotationAssertion( "-1") +AnnotationAssertion( "C55H73MgN4O6") +AnnotationAssertion( "InChI=1S/C55H74N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3;/h25,27-32,34-35,39-40H,13-24,26H2,1-12H3,(H-,56,57,58,59,60,62);/q-2;+2/p-1/b33-25+;/t31-,32-,34-,35+,39-,40+;/m1./s1") +AnnotationAssertion( "QOSUYSWYVJFCJO-VMLNTYRVSA-M") +AnnotationAssertion( "910.498") +AnnotationAssertion( "909.53860") +AnnotationAssertion( "C=12N3C(=CC4=[N+]5C(=CC=6N7C=8C(=C9[N+](=C(C1)[C@H]([C@@H]9CCC(OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)\\C)=O)C)[Mg-2]735)[C-](C(C8C6C)=O)C(=O)OC)[C@@H]([C@H]4C)CC)C(=C2C)C(=O)C") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "[methyl (3S,4S,13R,14R)-9-acetyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-13,14-dihydrophorbine-21-carboxylatato(3-)-kappa4N(23),N(24),N(25),N(26)]magnesate(1-)") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "UniProt") "bacteriochlorophyll a") +AnnotationAssertion( "CHEBI:61720") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "bacteriochlorophyll a(1-)") +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + +# Class: (chlorophyll b(1-)) + +AnnotationAssertion( "The cyclic tetrapyrrole anion that is chlorophyll b protonated to pH 7.3.") +AnnotationAssertion( "-1") +AnnotationAssertion( "C55H69MgN4O6") +AnnotationAssertion( "InChI=1S/C55H70N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-33,36,40H,1,13-24,26H2,2-11H3,(H-,56,57,58,59,60,62);/q-2;+2/p-1/b34-25+;/t32-,33-,36+,40+;/m1./s1") +AnnotationAssertion( "WMNTZEAJBUMETR-YKKLGNEQSA-M") +AnnotationAssertion( "906.46460") +AnnotationAssertion( "905.50730") +AnnotationAssertion( "CCC1=C(C=O)C2=[N+]3C1=Cc1c(C)c4C(=O)[C-](C(=O)OC)C5=C6[C@@H](CCC(=O)OC\\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H](C)C7=[N+]6[Mg--]3(n1c45)n1c(=C7)c(C)c(C=C)c1=C2") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "[methyl (3S,4S)-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)phorbine-21-carboxylatato(3-)-kappaN(23),kappa(4)N(24),kappaN(25),kappaN(26)]magnesate(1-)") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "UniProt") "chlorophyll b") +AnnotationAssertion( "CHEBI:61721") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "chlorophyll b(1-)") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (aureobasidin A) AnnotationAssertion( "A cyclodepsipeptide antibiotic, which is isolated from the filamentous fungus Aureobasidium pullulans R106 and is toxic to yeast at low concentrations (0.1-0.5 ug/ml).") @@ -185661,6 +188097,48 @@ AnnotationAssertion(rdfs:label "hem SubClassOf( ) SubClassOf( ) +# Class: (divinyl chlorophyll a(1-)) + +AnnotationAssertion( "A cyclic tetrapyrrole anion arising from deprotonation at the 21-position of divinyl chlorophyll a") +AnnotationAssertion( "-1") +AnnotationAssertion( "C55H69MgN4O5") +AnnotationAssertion( "InChI=1S/C55H70N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13-14,26,28-33,37,41H,1-2,15-25,27H2,3-12H3,(H-,56,57,58,59,61);/q-2;+2/p-1/b34-26+;/t32-,33-,37+,41+;/m1./s1") +AnnotationAssertion( "ZNGSRZUYGXSJBD-ONWAGYJKSA-M") +AnnotationAssertion( "890.46520") +AnnotationAssertion( "889.51239") +AnnotationAssertion( "COC(=O)[C-]1C(=O)c2c(C)c3=CC4=[N+]5C(=Cc6c(C=C)c(C)c7C=C8[C@@H](C)[C@H](CCC(=O)OC\\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C9=[N+]8[Mg--]5(n67)n3c2=C19)C(C)=C4C=C") +AnnotationAssertion(Annotation( "SUBMITTER") "PMID:20484022") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "[methyl (3S,4S)-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-9,14-divinylphorbine-21-carboxylatato(3-)-kappa(4)N(23),N(24),N(25),N(26)]magnesate(1-)") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "UniProt") "divinyl chlorophyll a") +AnnotationAssertion( "CHEBI:73095") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "divinyl chlorophyll a(1-)") +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) + +# Class: (divinyl chlorophyll b(1-)) + +AnnotationAssertion( "A cyclic tetrapyrrole anion arising from deprotonation at the 21-position of divinyl chlorophyll b.") +AnnotationAssertion( "-1") +AnnotationAssertion( "C55H67MgN4O6") +AnnotationAssertion( "InChI=1S/C55H68N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12-13,25,27-33,36,40H,1-2,14-24,26H2,3-11H3,(H-,56,57,58,59,60,62);/q-2;+2/p-1/b34-25+;/t32-,33-,36+,40+;/m1./s1") +AnnotationAssertion( "XCSMCRBINIVJRP-YKKLGNEQSA-M") +AnnotationAssertion( "904.44870") +AnnotationAssertion( "903.49165") +AnnotationAssertion( "COC(=O)[C-]1C(=O)c2c(C)c3C=C4C(C=C)=C(C=O)C5=[N+]4[Mg--]46n3c2C1=C1[C@@H](CCC(=O)OC\\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H](C)C(C=c2c(C)c(C=C)c(=C5)n42)=[N+]61") +AnnotationAssertion(Annotation( "SUBMITTER") "PMID:20484022") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "[methyl (3S,4S)-13-formyl-4,8,18-trimethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-9,14-divinylphorbine-21-carboxylatato(3-)-kappa(4)N(23),N(24),N(25),N(26)]magnesate(1-)") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "UniProt") "divinyl chlorophyll b") +AnnotationAssertion( "CHEBI:73096") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "divinyl chlorophyll b(1-)") +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (ganglioside GM1(1-)) AnnotationAssertion( "A carbohydrate acid derivative anion obtained by deprotonation of the carboxy group of GM1 ganglioside.") @@ -185684,6 +188162,56 @@ SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (divinyl chlorophyll a) + +AnnotationAssertion( "A carboxylic ester obtained by formal condensation of the carboxy group of divinyl chlorophyll a with the hydroxy group of (2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol.") +AnnotationAssertion( "0") +AnnotationAssertion( "C55H70MgN4O5") +AnnotationAssertion( "InChI=1S/C55H71N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13-14,26,28-33,37,41,51H,1-2,15-25,27H2,3-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32-,33-,37+,41+,51-;/m1./s1") +AnnotationAssertion( "COQGSKNKQZLZEJ-AENOIHSZSA-M") +AnnotationAssertion( "891.47310") +AnnotationAssertion( "890.51966") +AnnotationAssertion( "COC(=O)[C@H]1C(=O)c2c(C)c3=CC4=[N+]5C(=Cc6c(C=C)c(C)c7C=C8[C@@H](C)[C@H](CCC(=O)OC\\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C9=[N+]8[Mg--]5(n67)n3c2=C19)C(C)=C4C=C") +AnnotationAssertion( "KEGG:C11850") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:1481980") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:15695432") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:22387397") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:7842852") +AnnotationAssertion(Annotation( "Reaxys") "Reaxys:21120522") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "[methyl (3S,4S,21R)-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-9,14-divinylphorbine-21-carboxylatato(2-)-kappa(4)N(23),N(24),N(25),N(26)]magnesium") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Divinylchlorophyll a") +AnnotationAssertion( "CHEBI:73113") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "divinyl chlorophyll a") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) + +# Class: (divinyl chlorophyll b) + +AnnotationAssertion( "A carboxylic ester obtained by formal condensation of the carboxy group of divinyl chlorophyll b with the hydroxy group of (2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol.") +AnnotationAssertion( "0") +AnnotationAssertion( "C55H68MgN4O6") +AnnotationAssertion( "InChI=1S/C55H69N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12-13,25,27-33,36,40,51H,1-2,14-24,26H2,3-11H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b34-25+;/t32-,33-,36+,40+,51-;/m1./s1") +AnnotationAssertion( "NGKPZYGLFKXZKI-VBYMZDBQSA-M") +AnnotationAssertion( "905.45660") +AnnotationAssertion( "904.49893") +AnnotationAssertion( "COC(=O)[C@H]1C(=O)c2c(C)c3C=C4C(C=C)=C(C=O)C5=[N+]4[Mg--]46n3c2C1=C1[C@@H](CCC(=O)OC\\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H](C)C(C=c2c(C)c(C=C)c(=C5)n42)=[N+]61") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:15695432") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:9452521") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "[methyl (3S,4S,21R)-13-formyl-4,8,18-trimethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-9,14-divinylphorbine-21-carboxylatato(2-)-kappa(4)N(23),N(24),N(25),N(26)]magnesium") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion( "CHEBI:73115") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "divinyl chlorophyll b") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (tazarotenic acid) AnnotationAssertion( "A thiochromane that is acetylene in which the hydrogens are replaced by 5-carboxypyridin-2-yl and 4,4-dimethylthiochroman-6-yl groups. It is the active form of the prodrug tazarotene.") @@ -196083,6 +198611,21 @@ AnnotationAssertion( "food thickening agent") SubClassOf( ) +# Class: (raising agent) + +AnnotationAssertion( "A food additive which liberates gas so as to increase the volume of a dough or batter, resulting in a lighter and softer finished product.") +AnnotationAssertion( "Wikipedia:Leavening_agent") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "food raising agent") +AnnotationAssertion(Annotation( "ChEBI") "food raising agents") +AnnotationAssertion(Annotation( "ChEBI") "leavening agent") +AnnotationAssertion(Annotation( "ChEBI") "leavening agents") +AnnotationAssertion(Annotation( "ChEBI") "raising agents") +AnnotationAssertion( "CHEBI:77971") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "raising agent") +SubClassOf( ) + # Class: (food packaging gas) AnnotationAssertion( "A food additive that is a (generally inert) gas which is used to envelop foodstuffs during packing and so protect them from unwanted chemical reactions such as food spoilage or oxidation during subsequent transport and storage. The term includes propellant gases, used to expel foods from a container.") @@ -204018,6 +206561,26 @@ AnnotationAssertion( "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-)") SubClassOf( ) +# Class: (diatomaceous earth) + +AnnotationAssertion( "A form of silicon dioxide composed of skeletons of prehistoric diatoms (a type of hard-shelled algae). It can absorb up to four times its weight in water, and is used as an absorbent, filtration aid, and mild abrasive.") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:61790-53-2") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:24516665") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:24767070") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:25024689") +AnnotationAssertion( "Wikipedia:Diatomaceous_earth") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChemIDplus") "Celite") +AnnotationAssertion(Annotation( "ChEBI") "diatomite") +AnnotationAssertion(Annotation( "ChemIDplus") "fossil flour") +AnnotationAssertion(Annotation( "ChemIDplus") "kieselguhr") +AnnotationAssertion(Annotation( "ChemIDplus") "siliceous earth") +AnnotationAssertion( "CHEBI:82661") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "diatomaceous earth") +SubClassOf( ) +SubClassOf( ) + # Class: (elemental iron) AnnotationAssertion( "An elemental molecular entity in which all of the atoms have atomic number 26.") @@ -205500,6 +208063,65 @@ SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (chlorophyllide a(2-)) + +AnnotationAssertion( "A cyclic tetrapyrrole anion arising from deprotonation of the carboxy group and the C-21 posiiton of chlorophyllide a. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).") +AnnotationAssertion( "-2") +AnnotationAssertion( "C35H32MgN4O5") +AnnotationAssertion( "InChI=1S/C35H35N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8,12-14,17,21H,1,9-11H2,2-7H3,(H3,36,37,38,39,40,41,42);/q-1;+2/p-3/t17-,21-;/m0./s1") +AnnotationAssertion( "IZOAGQOHKWGYKF-PVMVIUQGSA-K") +AnnotationAssertion( "612.95800") +AnnotationAssertion( "612.22341") +AnnotationAssertion( "CCC1=C(C)C2=[N+]3C1=Cc1c(C)c4C(=O)[C-](C(=O)OC)C5=C6[C@@H](CCC([O-])=O)[C@H](C)C7=[N+]6[Mg--]3(n1c45)n1c(=C7)c(C)c(C=C)c1=C2") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "UniProt") "chlorophyllide a") +AnnotationAssertion( "CHEBI:83348") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "chlorophyllide a(2-)") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + +# Class: (divinyl chlorophyllide a(2-)) + +AnnotationAssertion( "A cyclic tetrapyrrole anion that is the conjugate base of divinyl chlorophyllide a, arising from deprotonation of the carboxy group and formation of a carbide ion. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).") +AnnotationAssertion( "-2") +AnnotationAssertion( "C35H30MgN4O5") +AnnotationAssertion( "InChI=1S/C35H33N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8-9,12-14,17,21H,1-2,10-11H2,3-7H3,(H3,36,37,38,39,40,41,42);/q-1;+2/p-3/t17-,21-;/m0./s1") +AnnotationAssertion( "UNSKJTNUDHVNJT-PVMVIUQGSA-K") +AnnotationAssertion( "610.94300") +AnnotationAssertion( "610.20776") +AnnotationAssertion( "COC(=O)[C-]1C(=O)c2c(C)c3C=C4C(C=C)=C(C)C5=[N+]4[Mg--]46n3c2C1=C1[C@@H](CCC([O-])=O)[C@H](C)C(C=c2c(C)c(C=C)c(=C5)n42)=[N+]61") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "UniProt") "3,8-divinyl chlorophyllide a") +AnnotationAssertion( "CHEBI:83349") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "divinyl chlorophyllide a(2-)") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + +# Class: (chlorophyllide b(2-)) + +AnnotationAssertion( "A cyclic tetrapyrrole anion that is derived from chlorophyllide b via deprotonation of the carboxy group and formation of a carbide ion. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).") +AnnotationAssertion( "-2") +AnnotationAssertion( "C35H30MgN4O6") +AnnotationAssertion( "InChI=1S/C35H33N4O6.Mg/c1-7-18-15(3)22-11-23-16(4)20(9-10-28(41)42)32(38-23)30-31(35(44)45-6)34(43)29-17(5)24(39-33(29)30)12-26-19(8-2)21(14-40)27(37-26)13-25(18)36-22;/h7,11-14,16,20H,1,8-10H2,2-6H3,(H3,36,37,38,39,40,41,42,43);/q-1;+2/p-3/t16-,20-;/m0./s1") +AnnotationAssertion( "WSVKRUWOLPKKOO-XXRBRTKDSA-K") +AnnotationAssertion( "626.94200") +AnnotationAssertion( "626.20267") +AnnotationAssertion( "CCC1=C(C=O)C2=[N+]3C1=Cc1c(C)c4C(=O)[C-](C(=O)OC)C5=C6[C@@H](CCC([O-])=O)[C@H](C)C7=[N+]6[Mg--]3(n1c45)n1c(=C7)c(C)c(C=C)c1=C2") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "UniProt") "chlorophyllide b") +AnnotationAssertion( "CHEBI:83356") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "chlorophyllide b(2-)") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (N-stearoylsphingosine-1-phosphocholine) AnnotationAssertion( "A sphingomyelin d18:1 in which the ceramide N-acyl group is specified as stearoyl (octadecanoyl).") diff --git a/seed.txt b/seed.txt index f8822b8..3a31031 100644 --- a/seed.txt +++ b/seed.txt @@ -374,6 +374,7 @@ CHEBI:15361 CHEBI:15365 CHEBI:15366 CHEBI:15367 +CHEBI:15368 CHEBI:15369 CHEBI:15372 CHEBI:15373 @@ -396,9 +397,11 @@ CHEBI:15570 CHEBI:15571 CHEBI:155814 CHEBI:155817 +CHEBI:155827 CHEBI:155834 CHEBI:155835 CHEBI:155837 +CHEBI:155903 CHEBI:15595 CHEBI:15598 CHEBI:156029 @@ -629,6 +632,7 @@ CHEBI:166944 CHEBI:166945 CHEBI:16695 CHEBI:166964 +CHEBI:166975 CHEBI:16698 CHEBI:166988 CHEBI:16701 @@ -709,6 +713,7 @@ CHEBI:16865 CHEBI:16867 CHEBI:16874 CHEBI:16893 +CHEBI:16900 CHEBI:16907 CHEBI:16908 CHEBI:16914 @@ -746,6 +751,7 @@ CHEBI:17027 CHEBI:17029 CHEBI:17033 CHEBI:17044 +CHEBI:17045 CHEBI:17051 CHEBI:17053 CHEBI:17061 @@ -984,6 +990,7 @@ CHEBI:18208 CHEBI:18211 CHEBI:18212 CHEBI:18222 +CHEBI:18230 CHEBI:18231 CHEBI:18237 CHEBI:18240 @@ -995,6 +1002,7 @@ CHEBI:18257 CHEBI:18258 CHEBI:18259 CHEBI:18274 +CHEBI:18276 CHEBI:18282 CHEBI:18283 CHEBI:18287 @@ -1032,6 +1040,7 @@ CHEBI:18408 CHEBI:18420 CHEBI:18421 CHEBI:184217 +CHEBI:18422 CHEBI:184376 CHEBI:184381 CHEBI:185095 @@ -1619,6 +1628,7 @@ CHEBI:25481 CHEBI:2549 CHEBI:25491 CHEBI:25500 +CHEBI:25501 CHEBI:25506 CHEBI:25508 CHEBI:25512 @@ -1677,6 +1687,7 @@ CHEBI:25805 CHEBI:25806 CHEBI:25807 CHEBI:25810 +CHEBI:25812 CHEBI:25813 CHEBI:25814 CHEBI:25816 @@ -1730,6 +1741,7 @@ CHEBI:26151 CHEBI:26155 CHEBI:26167 CHEBI:26177 +CHEBI:26178 CHEBI:26179 CHEBI:26186 CHEBI:26187 @@ -1809,6 +1821,7 @@ CHEBI:26455 CHEBI:26456 CHEBI:26463 CHEBI:26469 +CHEBI:26490 CHEBI:26491 CHEBI:26508 CHEBI:26509 @@ -1844,6 +1857,7 @@ CHEBI:2666 CHEBI:26666 CHEBI:26667 CHEBI:26672 +CHEBI:26675 CHEBI:26677 CHEBI:2668 CHEBI:26689 @@ -1942,6 +1956,7 @@ CHEBI:27273 CHEBI:27275 CHEBI:27283 CHEBI:27292 +CHEBI:27295 CHEBI:27300 CHEBI:27306 CHEBI:27311 @@ -2016,6 +2031,7 @@ CHEBI:27871 CHEBI:27878 CHEBI:27881 CHEBI:27882 +CHEBI:27888 CHEBI:27889 CHEBI:27891 CHEBI:27897 @@ -2077,6 +2093,7 @@ CHEBI:28266 CHEBI:28300 CHEBI:28304 CHEBI:28306 +CHEBI:28315 CHEBI:28328 CHEBI:28331 CHEBI:28358 @@ -2131,6 +2148,7 @@ CHEBI:28789 CHEBI:28790 CHEBI:28793 CHEBI:28794 +CHEBI:28798 CHEBI:28800 CHEBI:28803 CHEBI:28805 @@ -2171,6 +2189,7 @@ CHEBI:28950 CHEBI:28954 CHEBI:28963 CHEBI:28965 +CHEBI:28966 CHEBI:28971 CHEBI:28973 CHEBI:28976 @@ -2211,6 +2230,7 @@ CHEBI:29214 CHEBI:29222 CHEBI:29228 CHEBI:29238 +CHEBI:29241 CHEBI:29256 CHEBI:29258 CHEBI:29259 @@ -2278,6 +2298,7 @@ CHEBI:29995 CHEBI:29999 CHEBI:30011 CHEBI:30031 +CHEBI:30033 CHEBI:30045 CHEBI:30052 CHEBI:30065 @@ -2296,9 +2317,11 @@ CHEBI:3018 CHEBI:30182 CHEBI:30183 CHEBI:30185 +CHEBI:30187 CHEBI:30199 CHEBI:30212 CHEBI:30217 +CHEBI:30218 CHEBI:30231 CHEBI:30245 CHEBI:30251 @@ -2335,6 +2358,7 @@ CHEBI:30477 CHEBI:30488 CHEBI:30494 CHEBI:30495 +CHEBI:30496 CHEBI:30501 CHEBI:30512 CHEBI:30513 @@ -2593,6 +2617,7 @@ CHEBI:32955 CHEBI:32964 CHEBI:32970 CHEBI:32988 +CHEBI:32999 CHEBI:33007 CHEBI:33017 CHEBI:33019 @@ -2669,10 +2694,13 @@ CHEBI:33317 CHEBI:33318 CHEBI:33324 CHEBI:33327 +CHEBI:33331 +CHEBI:33336 CHEBI:33338 CHEBI:33340 CHEBI:33342 CHEBI:33343 +CHEBI:33344 CHEBI:33347 CHEBI:33348 CHEBI:33350 @@ -2684,7 +2712,12 @@ CHEBI:33362 CHEBI:33364 CHEBI:33365 CHEBI:33366 +CHEBI:33369 CHEBI:33371 +CHEBI:33372 +CHEBI:33374 +CHEBI:33375 +CHEBI:33377 CHEBI:33384 CHEBI:33402 CHEBI:33405 @@ -2725,6 +2758,7 @@ CHEBI:33488 CHEBI:33489 CHEBI:33490 CHEBI:33497 +CHEBI:33499 CHEBI:33504 CHEBI:33508 CHEBI:33513 @@ -3503,6 +3537,8 @@ CHEBI:36916 CHEBI:36919 CHEBI:36920 CHEBI:36921 +CHEBI:36927 +CHEBI:36928 CHEBI:36946 CHEBI:36952 CHEBI:36961 @@ -3583,6 +3619,7 @@ CHEBI:37334 CHEBI:37335 CHEBI:37338 CHEBI:37339 +CHEBI:37376 CHEBI:37395 CHEBI:37396 CHEBI:37397 @@ -3941,6 +3978,7 @@ CHEBI:39277 CHEBI:39279 CHEBI:39281 CHEBI:39282 +CHEBI:39285 CHEBI:39287 CHEBI:39289 CHEBI:39291 @@ -4085,6 +4123,7 @@ CHEBI:44667 CHEBI:4469 CHEBI:4470 CHEBI:44811 +CHEBI:44882 CHEBI:44897 CHEBI:44932 CHEBI:44976 @@ -4212,6 +4251,7 @@ CHEBI:47013 CHEBI:47017 CHEBI:47018 CHEBI:47019 +CHEBI:47032 CHEBI:47042 CHEBI:4705 CHEBI:47077 @@ -4426,7 +4466,9 @@ CHEBI:49709 CHEBI:49713 CHEBI:49747 CHEBI:497734 +CHEBI:49828 CHEBI:49870 +CHEBI:49976 CHEBI:4998 CHEBI:50007 CHEBI:5001 @@ -4541,6 +4583,7 @@ CHEBI:50566 CHEBI:50569 CHEBI:5058 CHEBI:50584 +CHEBI:50594 CHEBI:50607 CHEBI:506227 CHEBI:50629 @@ -4705,6 +4748,7 @@ CHEBI:51842 CHEBI:51843 CHEBI:51851 CHEBI:51852 +CHEBI:5186 CHEBI:51867 CHEBI:51869 CHEBI:51874 @@ -4795,6 +4839,8 @@ CHEBI:53309 CHEBI:53339 CHEBI:53353 CHEBI:53368 +CHEBI:53388 +CHEBI:53448 CHEBI:53487 CHEBI:53526 CHEBI:53555 @@ -5759,6 +5805,8 @@ CHEBI:73018 CHEBI:73039 CHEBI:73074 CHEBI:73080 +CHEBI:73113 +CHEBI:73115 CHEBI:73155 CHEBI:73163 CHEBI:73173 @@ -6366,6 +6414,7 @@ CHEBI:82550 CHEBI:82620 CHEBI:82623 CHEBI:82632 +CHEBI:82661 CHEBI:82663 CHEBI:82680 CHEBI:8269