Closed nconrad closed 8 years ago
What compound? I mean, did they give you a ModelSEED identifier?
whoops. updated ticket. It's cpd11684
Yes, its mass should be unknown, and that can be updated in the database. Its charge is listed as zero because its also associated with this KEGG compound:
http://rest.kegg.jp/get/C00462
which has a formula that includes a proton.
Generally speaking however, the compound is of little concern as we cannot use it in flux balance analysis.
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In the meantime I have found a compound entry with some possible errors: cpd11684
This compound looks to be the same than CHEBI:16042 (http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16042) or http://metacyc.org/META/NEW-IMAGE?type=COMPOUND&object=Halide-Anions
So it can be bromide, chloride, fluoride or iodide. In consequence its mass should be unknown because is the mass of one of those 4. Not 1 for sure. And its charge should be -1 according to ChEBI and MetaCyc.