feat: add (S)-dihydroorotate transport and exchange reactions#1047
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edkerk wants to merge 2 commits into
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feat: add (S)-dihydroorotate transport and exchange reactions#1047edkerk wants to merge 2 commits into
edkerk wants to merge 2 commits into
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(S)-dihydroorotate (MAM00180) existed only in the cytosol, with no transport or exchange reaction, so the model could not represent its secretion by cells under hypoxia (PMID:30643150). - Add extracellular metabolite MAM00180e. - Add MAR20193: (S)-dihydroorotate[c] <=> (S)-dihydroorotate[e], reversible. No GPR, as no specific plasma-membrane transporter for dihydroorotate is established. - Add MAR20194: exchange of (S)-dihydroorotate[e]. Both reactions are reversible, enabling import and export. The transport reaction is mass and charge balanced; the exchange is open by construction. The metabolite's ChEBI (CHEBI:17025, the acid form) reflects the model-wide ion/acid convention and is left unchanged.
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This PR has been automatically tested with GH Actions. Here are the results of the quality-control tests: MACAW: dead-end and duplicate testsMass and charge balanceMore detailed output is committed to
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Main improvements in this PR:
Resolves #357. (S)-dihydroorotate (MAM00180) existed only in the cytosol, with no transport or exchange reaction, so the model could not represent its secretion by cells under hypoxia (PMID:30643150).
MAM00180e.MAR20193:(S)-dihydroorotate[c] <=> (S)-dihydroorotate[e], reversible, no GPR (no established plasma-membrane transporter for dihydroorotate).MAR20194: exchange of(S)-dihydroorotate[e].Both reactions are reversible, enabling import and export. The transport reaction is mass and charge balanced; the exchange is open by construction. No genes are affected.
The metabolite's ChEBI (CHEBI:17025, the acid form) reflects the model-wide ion/acid convention and is left unchanged.
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