CHEBI:33279 - Githubissues

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:33279 #2018

Closed muthuvenkat closed 8 years ago

muthuvenkat commented 13 years ago

Hi Could you please complete curation of CHEBI:33279, sitocalciferol, to make it a full CHEBI: It is vitamin D5, aka CAS: 71761-06-3, (5Z,7E)-9,10-Secostigmasta-5,7,10(19)-trien-3beta-ol;

IUPAC: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-ethylidenecyclohexan-1-ol Structure can be found at PubCHEM under SID: 96024409 This is for the GO/CHEBI alignment project.

thanks Harold

Reported by: hjdrabkin

muthuvenkat commented 13 years ago

Hi Harold,

Now done. The changes will become visible for the next release of ChEBI, scheduled for Monday 7th February 2011.

[Note that the structure given for PubChem SID: 96024409 is not quite correct - the stereochemistry of the ethyl substituent on the side chain should be R- (wedged), rather than S (dashed).]

Regards, Gareth

Original comment by: G-Owen

muthuvenkat commented 13 years ago

assigned_to: nobody --> gareth2
status: open --> closed

Original comment by: G-Owen