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Duplicate species hexanoate/hexanoic acid #716

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pranasag opened this issue Oct 27, 2023 · 2 comments
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Duplicate species hexanoate/hexanoic acid #716

pranasag opened this issue Oct 27, 2023 · 2 comments
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@pranasag
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Current behavior:

While dealing with #689, I found that the model has two species that correspond to the same metabolite: hexanoate MAM03684c and hexanoic acid MAM02120c. I have checked a couple other short- or medium-chained fatty acids, they do not seem to have duplicates. MAM03684c likely comes from Recon3D, and the other from elsewhere.

Expected feature/value/output:

Proposed curation: "merge" species by retaining hexanoic acid MAM02120c for consistency with other metabolite names, e.g. octanoic acid MAM02642c.

Identify identical reactions between the two, and remove the one for hexanoate. GPRs are likely to be the same for duplicate reactions, but needs checking as well. In case of unique reactions, swap hexanoate MAM03684c for hexanoic acid MAM02120c.

Any other tips/suggestions? Or good to go?

@pranasag pranasag added the bug label Oct 27, 2023
@pranasag pranasag changed the title Duplicate species hexanoate/hexanoic aicd Duplicate species hexanoate/hexanoic acid Oct 27, 2023
@haowang-bioinfo
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makes sense - go ahead please

@pranasag pranasag mentioned this issue Oct 27, 2023
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@haowang-bioinfo
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fixed in #717

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