Duplicate Stearoyl-CoA Beta-Oxidation Reactions

[Devlin-Moyer]

Current behavior:

There appear to be a few duplicate reactions representing the beta-oxidation of stearoyl-CoA:

ID	Reaction	GPR
MAR03115	FAD [m] + stearoyl-CoA [m] --> (2E)-octadecenoyl-CoA [m] + FADH2 [m]	ACADVL or ACADL or ACADM or ACAD9
MAR03116	(2E)-octadecenoyl-CoA [m] + H2O [m] --> 3-hydroxyoctadecanoyl-CoA [m]	HADHA and EHHADH and ECHS1
MAR03117	3-hydroxyoctadecanoyl-CoA [m] + NAD+ [m] --> 3-oxooctadecanoyl-CoA [m] + H+ [m] + NADH [m]	HSD17B10 and HADHA and HADH
MAR03118	3-oxooctadecanoyl-CoA [m] + CoA [m] --> acetyl-CoA [m] + palmitoyl-CoA [m]	HADHA and HADHB and ACAA2
MAR03121	FAD [m] + palmitoyl-CoA [m] --> (2E)-hexadecenoyl-CoA [m] + FADH2 [m]	ACADVL or ACADL or ACADM or ACAD9
MAR03122	(2E)-hexadecenoyl-CoA [m] + H2O [m] --> (S)-3-hydroxyhexadecanoyl-CoA [m]	HADHA and EHHADH and ECHS1
MAR03123	(S)-3-hydroxyhexadecanoyl-CoA [m] + NAD+ [m] --> 3-oxopalmitoyl-CoA [m] + H+ [m] + NADH [m]	HSD17B10 and HADHA and HADH
MAR03125	3-oxopalmitoyl-CoA [m] + CoA [m] --> acetyl-CoA [m] + myristoyl-CoA [m]	HADHA and HADHB and ACAA2
MAR03128	FAD [m] + myristoyl-CoA [m] --> (2E)-tetradecenoyl-CoA [m] + FADH2 [m]	ACADVL or ACOX3 or ACADL or ACADM or ACOX1 or ACAD9
MAR03129	(2E)-tetradecenoyl-CoA [m] + H2O [m] --> (S)-3-hydroxytetradecanoyl-CoA [m]	HADHA and EHHADH and ECHS1
MAR03130	(S)-3-hydroxytetradecanoyl-CoA [m] + NAD+ [m] --> 3-oxotetradecanoyl-CoA [m] + H+ [m] + NADH [m]	HSD17B10 and HADHA and HADH
MAR03132	3-oxotetradecanoyl-CoA [m] + CoA [m] --> acetyl-CoA [m] + lauroyl-CoA [m]	HADHA and HADHB and ACAA2
MAR03135	FAD [m] + lauroyl-CoA [m] --> (2E)-dodecenoyl-CoA [m] + FADH2 [m]	ACADVL or ACADL or ACADM or ACAD9
MAR03136	(2E)-dodecenoyl-CoA [m] + H2O [m] --> (S)-3-hydroxydodecanoyl-CoA [m]	HADHA and EHHADH and ECHS1
MAR03137	(S)-3-hydroxydodecanoyl-CoA [m] + NAD+ [m] --> 3-oxododecanoyl-CoA [m] + H+ [m] + NADH [m]	HSD17B10 and HADHA and HADH
MAR03139	3-oxododecanoyl-CoA [m] + CoA [m] --> acetyl-CoA [m] + decanoyl-CoA [m]	HADHA and HADHB and ACAA2
MAR03142	FAD [m] + decanoyl-CoA [m] ⇒ (2E)-decenoyl-CoA [m] + FADH2 [m]	ACADM or ACAD9
MAR03143	(2E)-decenoyl-CoA [m] + H2O [m] ⇒ (S)-hydroxydecanoyl-CoA [m]	HADHA and EHHADH and ECHS1
MAR03144	(S)-hydroxydecanoyl-CoA [m] + NAD+ [m] ⇒ 3-oxodecanoyl-CoA [m] + H+ [m] + NADH [m]	HSD17B10 and HADHA and HADH
MAR03146	3-oxodecanoyl-CoA [m] + CoA [m] ⇒ acetyl-CoA [m] + octanoyl-CoA [m]	HADHA and HADHB and ACAA2
MAR00776	CoA [m] + FAD [m] + H2O [m] + NAD+ [m] + stearoyl-CoA [m] --> acetyl-CoA [m] + FADH2 [m] + H+ [m] + NADH [m] + palmitoyl-CoA [m]	ACADM or ACADS
MAR00778	(2E)-octadecenoyl-CoA [m] + 5 CoA [m] + 4 FAD [m] + 5 H2O [m] + 5 NAD+ [m] --> 5 acetyl-CoA [m] + 4 FADH2 [m] + 5 H+ [m] + 5 NADH [m] + octanoyl-CoA [m]	ACADM or ACADS

Proposed changes:

• Remove MAR00776 for being a duplicate of MAR03115 + MAR03116 + MAR03117 + MAR03118
• Remove MAR00778 for being a duplicate of MAR03116 + MAR03117 + MAR03118 + MAR03121 + MAR03122 + MAR03123 + MAR03125 + MAR03128 + MAR03129 + MAR03130 + MAR03132 +MAR03135 + MAR03136 + MAR03137 + MAR03139 + MAR03142 + MAR03143 + MAR03144 + MAR03146

[feiranl]

ACADS is annotated with MAR03163 , consistent with UniProt annotation, and also ACADM is correctly associated with the first step of beta-oxidation, so I agree it is ok to remove the MAR00776 and MAR00778.

[feiranl]

Please go ahead and make the PR. Thanks! @Devlin-Moyer