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fix: miscellaneous curations #325

Merged
merged 6 commits into from
Oct 20, 2021
Merged

fix: miscellaneous curations #325

merged 6 commits into from
Oct 20, 2021

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haowang-bioinfo
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@haowang-bioinfo haowang-bioinfo commented Oct 11, 2021

Main improvements in this PR:

I hereby confirm that I have:

  • Tested my code on my own computer for running the model
  • Selected develop as a target branch

- revised metabolite associations to MAM02484 and MAM02485, as discussed in #308
- provide CHEBI id to MAM00003, as proposed in #299
- associate MAM00005 with CHEBI:34127
- associate MAM00046 with CHEBI:77551
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Some ids still contain the p compartment instead of x now

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@smoretti the met ids haven't been fixed, but will do this

- revert compartment change from p to x, will revisit this after thorough planning
@haowang-bioinfo haowang-bioinfo marked this pull request as ready for review October 18, 2021 04:49
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@smoretti the changes of compartment abbreviation and met ids will be made elsewhere, due to some new discussions in #314

@ANiknejad could you please review the changes in this PR

@@ -4618,8 +4618,8 @@ mets metsNoComp metBiGGID metKEGGID metHMDBID metChEBIID metPubChemID metLipidMa
"MAM02678m" "MAM02678" "pmtcoa" "C00154" "HMDB01338" "CHEBI:15525" "15667" "LMFA07050002" "" "HC00150" "pmtcoa" "MNXM88" "m02678m" "m02678m"
"MAM02678p" "MAM02678" "pmtcoa" "C00154" "HMDB01338" "CHEBI:15525" "15667" "LMFA07050002" "" "HC00150" "pmtcoa" "MNXM88" "m02678p" "m02678p"
"MAM02678r" "MAM02678" "pmtcoa" "C00154" "HMDB01338" "CHEBI:15525" "15667" "LMFA07050002" "" "HC00150" "pmtcoa" "MNXM88" "m02678r" "m02678r"
"MAM02679c" "MAM02679" "ptth" "C00154" "HMDB01338" "CHEBI:15525" "15667" "" "" "HC00554" "ptth" "MNXM1154" "m02679c" "m02679c"
"MAM02679m" "MAM02679" "ptth" "C00154" "HMDB01338" "CHEBI:15525" "15667" "" "" "HC00554" "ptth" "MNXM1154" "m02679m" "m02679m"
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Why was the associated metBiGGID ptth removed? I think that association was correct.

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@haowang-bioinfo haowang-bioinfo Oct 20, 2021

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yes, ptth does appear to be correctly annotated in BiGG.

This removal was due to the wrong annotation to metRecon3DID id ptth, which probably should be removed?

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Ah, very interesting case - so the ptth entry is correct in BiGG but incorrect in VMH. Although I would like to maintain the association with the Recon3D ID, it may be better to remove it to avoid confusion...

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Yes, it is.

Now the BiGG id was added back, while the erroneous Recon3D id excluded.

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@smoretti if this PR can be merged without dealing with compartment abbreviation, which obviously needs more thoughts

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I think it can be merged without the compartment abbreviation change

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3 participants