Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Metabolite annotation with InChI Key #363

Open
Midnighter opened this issue Dec 10, 2019 · 4 comments
Open

Metabolite annotation with InChI Key #363

Midnighter opened this issue Dec 10, 2019 · 4 comments

Comments

@Midnighter
Copy link

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"/>
@draeger
Copy link

draeger commented Dec 11, 2019

@mephenor and I will check if this problem comes from ModelPolisher.

@mephenor
Copy link

Seems to be an issue with ModelPolisher, might have to do with the way how the annotation URIs are constructed. URL_Prefix is correct, but we somehow use the bigg_id inchi_key instead for the collection part.
This will be fixed when I refactor the code dealing with annotations.

@Midnighter
Copy link
Author

Sounds good. If you are anyway refactoring that code, can you also switch http://identifiers.org to https://identifiers.org, please?

@mephenor
Copy link

Sure, I'll change that.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

3 participants