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Duplicate Eicosanoyl-CoA Beta-Oxidation Reactions #798

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Devlin-Moyer opened this issue Dec 28, 2023 · 0 comments
Open

Duplicate Eicosanoyl-CoA Beta-Oxidation Reactions #798

Devlin-Moyer opened this issue Dec 28, 2023 · 0 comments
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@Devlin-Moyer
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Devlin-Moyer commented Dec 28, 2023

Current behavior:

MAR00869 appears to be a duplicate of MAR03111 + MAR03112 + MAR03113 + MAR03114:

ID Reaction GPR
MAR00869 CoA [m] + eicosanoyl-CoA [m] + FAD [m] + H2O [m] + NAD+ [m] --> acetyl-CoA [m] + FADH2 [m] + H+ [m] + NADH [m] + stearoyl-CoA [m] ACADM or ACADS
MAR03111 eicosanoyl-CoA [m] + FAD [m] --> (2E)-eicosenoyl-CoA [m] + FADH2 [m] ACADVL or ACADL or ACADM or ACAD9
MAR03112 (2E)-eicosenoyl-CoA [m] + H2O [m] --> 3-hydroxyeicosanoyl-CoA [m] HADHA and EHHADH and ECHS1
MAR03113 3-hydroxyeicosanoyl-CoA [m] + NAD+ [m] --> 3-oxoeicosanoyl-CoA [m] + H+ [m] + NADH [m] HSD17B10 and HADHA and HADH
MAR03114 3-oxoeicosanoyl-CoA [m] + CoA [m] --> acetyl-CoA [m] + stearoyl-CoA [m] HADHA and HADHB and ACAA2

I think MAR00869 should be removed. There are also some problems with the GPRs of MAR03111, MAR03112, MAR03113, and MAR03114, but I think it might be best to first resolve all of the sets of duplicate beta-oxidation reactions I've recently identified and then address the GPRs of all remaining beta-oxidation reactions, so I won't go into the details here.

@Devlin-Moyer Devlin-Moyer changed the title Duplicate Eicosanoyl-CoA Reactions Duplicate Eicosanoyl-CoA Beta-Oxidation Reactions Dec 28, 2023
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