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Metabolite annotation with InChI Key

Open Midnighter opened this issue 4 years ago • 4 comments

Metabolites in BiGG, where available, are annotated with InChI Keys. That is super useful. Unfortunately, the keyword does not follow the Identifiers.org standard. It describes the namespace/collection/registry as inchi_key but it should be inchikey.

Here is an SBML example for pyruvate.

<rdf:li rdf:resource="http://identifiers.org/inchi_key/LCTONWCANYUPML-UHFFFAOYSA-M"/>

Midnighter avatar Dec 10 '19 16:12 Midnighter