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

MESH:C053590 (quinquefolan B) is combined with CHEBI:16335 (adenosine) #364

Open
gaurav opened this issue Oct 18, 2024 · 1 comment
Open

Comments

@gaurav
Copy link
Collaborator

gaurav commented Oct 18, 2024

Confirmed on NodeNorm Dev.

The connections here appear to be:

concords/mesh_cas:MESH:C053590	xref	CAS:109767-06-8
concords/PUBCHEM_CAS:PUBCHEM.COMPOUND:60961	xref	CAS:109767-06-8
concords/CHEBI:CHEBI:16335	xref	PUBCHEM.COMPOUND:60961

concords/PUBCHEM_CAS is generated from the "Depositor Supplied Synonyms" of PUBCHEM.COMPOUND:60961 "Adenosine", so that's where that connection comes from.

However, note that CAS:109767-06-8 "quinquefolan B" has "Adenosine" as the chemical name, has exactly the same chemical formula as PUBCHEM.COMPOUND:60961 "Adenosine", but has a slightly different IUPAC name:

ID IUPAC name
PUBCHEM.COMPOUND:60961 (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CAS:109767-06-8 (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

So I think we'll need a chemist to figure out if this needs to be split (and -- if so -- it'll be easier to complain to PubChem about it rather than trying to fix it within Babel.)

@gaurav gaurav added this to the Issues needing investigation milestone Oct 18, 2024
@colleenXu
Copy link

"quinquefolan B" seems to be the name of a Polysaccharide glycans extracted from American ginseng though...

Looking up this name from Duckduckgo:

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

2 participants