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As discussed in #728 , we had added SMILEs and Inchi to the metabolites in Human-GEM (./data/modelCuration/metabolites_SMILES_Inchi.tsv). This metabolite information allows us to enhance the metabolite annotation for Human-GEM by comparing it with other metabolite databases.
In this way, I found a total of 5946 matching items that should be included in metabolites.tsv. The distribution of these successfully matched items is as follows:
metBiGGID
metKEGGID
metHMDBID
metChEBIID
metPubChemID
metLipidMapsID
metMetaNetXID
New matched items
3
379
1915
844
1546
797
You can find more details in this New_metabolites.xls. It should be noted that the metabolite IDs in the MetaNetX database have been updated, and the previously matched metabolite IDs are no longer applicable. Thus, I updated the MetaNetX ID in the last column of the table.
Proposed changes:
Add new annotation for metabolites and update the metabolites.tsv.
The text was updated successfully, but these errors were encountered:
Current behavior:
As discussed in #728 , we had added
SMILEs
andInchi
to the metabolites in Human-GEM (./data/modelCuration/metabolites_SMILES_Inchi.tsv
). This metabolite information allows us to enhance the metabolite annotation for Human-GEM by comparing it with other metabolite databases.In this way, I found a total of 5946 matching items that should be included in
metabolites.tsv
. The distribution of these successfully matched items is as follows:You can find more details in this New_metabolites.xls. It should be noted that the metabolite IDs in the MetaNetX database have been updated, and the previously matched metabolite IDs are no longer applicable. Thus, I updated the MetaNetX ID in the last column of the table.
Proposed changes:
metabolites.tsv
.The text was updated successfully, but these errors were encountered: