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Split from #491, where the specific typo that prompted it (MAM02053) was fixed in #518. This issue tracks the broader idea from that thread: curating metabolite names against ChEBI.
Goal
Compare Human-GEM metabolite names with the names of their assigned ChEBI identifiers, and correct clear discrepancies.
Notes from the earlier discussion
Not every mismatch should be changed:
Many differences are stylistic and the model name is fine to keep (for example "O2" vs "dioxygen", or stereo-notation differences like "18-(R)-" vs "(18R)-").
The ChEBI preferred name is not always the best choice, and its synonyms are often equally valid. For example CHEBI:39248 is "henicosanoic acid" in ChEBI, but the model consistently uses the synonym "heneicosanoic acid"; internal consistency across related metabolites matters more than matching the ChEBI preferred string.
Some "pool" metabolites (modeling abstractions) carry ChEBI IDs and should be reviewed separately, since they are not single chemical entities.
Some ChEBI IDs themselves may need correcting, not only the names.
Suggested approach
Regenerate the model-name vs ChEBI-name diff against the current model/metabolites.tsv (the 2023 analysis attached in Typo in the name of MAM02053 #491 predates v2.0.0 and is stale). Add it as a TSV under data/modelCuration/.
Apply the clear, unambiguous corrections first (genuine typos and errors), leaving stylistic differences alone.
Handle pool metabolites and any ChEBI ID corrections as separate follow-ups.
Split from #491, where the specific typo that prompted it (MAM02053) was fixed in #518. This issue tracks the broader idea from that thread: curating metabolite names against ChEBI.
Goal
Compare Human-GEM metabolite names with the names of their assigned ChEBI identifiers, and correct clear discrepancies.
Notes from the earlier discussion
Not every mismatch should be changed:
Suggested approach
model/metabolites.tsv(the 2023 analysis attached in Typo in the name of MAM02053 #491 predates v2.0.0 and is stale). Add it as a TSV underdata/modelCuration/.