ebi-chebi / ChEBI

Chemical Entities of Biological Interest (ChEBI) is a freely available dictionary of molecular entities focused on ‘small’ chemical compounds.
https://www.ebi.ac.uk/chebi
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CHEBI:88774, to delete or to merge with CHEBI:166785 #4571

Open ANiknejad opened 3 weeks ago

ANiknejad commented 3 weeks ago

Hello ChEBI Team,

CHEBI:166785 Cholest-5-en-3beta-yl (13Z,16Z-docosadienoate) is a 2-stars chebi, but it has the same mol file as the one of SLM:000500292 (13Z,16Z-docosadienoyl)-cholesterol

CHEBI:88774 CE(22:2(13Z,16Z)) is also a 2-stars chebi compound, with synonym Cholest-5-en-3beta-yl (13Z,16Z-docosadienoate) in HMDB

The difference, as far as I understand, is the stereo on the cholesteryl part, with CHEBI:166785 having the correct stereo. So I guess, both compounds should be merged

Thank you for your help, Cheers,

Anne