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ModelSEED / ModelSEEDDatabase

This repository contains the definitive copy of the biochemistry and metadata used to construct models using the ModelSEED/ProbAnno approach
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Wrong InChI for cpd00030 #45

Closed JamesJeffryes closed 7 years ago

JamesJeffryes commented 7 years ago

From @smoretti on May 10, 2017 10:57

According to its name (Mn2+) and charge (+2), InChI string of compound cpd00030 is wrong.

Should be InChI=1S/Mn/q+2 and not InChI=1S/Mn

Mn(III) alias should not be associated either.

Maybe it is Mn atom, without charge, because Manganese(2+) (cpd20863) and Manganese(3+) (cpd20864) already exist in SEED.

Copied from original issue: ModelSEED/ModelSEED-UI#64

JamesJeffryes commented 7 years ago

From @samseaver on May 10, 2017 14:12

Hi Sebastien,

Firstly, can you now report biochemistry issues over at the ModelSEEDDatabase repository. Secondly, I'm assuming that you're working with the search function for biochemistry in ModelSEED.org, this is currently out-of-date and you can search names and InChIs directly in the files we've collated in the ModelSEEDDatabase repository.

JamesJeffryes commented 7 years ago

From @smoretti on May 10, 2017 14:58

Thanks for the information. I will use ModelSEEDDatabase repository now.

Do you want I move the issue there?