CHEBI:79859 - Cholesta-3,5-dien-7-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Cholesta-3,5-dien-7-one
ChEBI ID CHEBI:79859
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H42O
Net Charge 0
Average Mass 382.62180
Monoisotopic Mass 382.32357
InChI InChI=1S/C27H42O/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(25)28/h6,11,17-19,21-23,25H,7-10,12-16H2,1-5H3/t19-,21-,22+,23+,25?,26+,27-/m1/s1
InChIKey TTXJJFWWNDJDNR-IUVLWAHFSA-N
SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3[C@H](CC[C@]12C)[C@@]1(C)CCC=CC1=CC3=O
ChEBI Ontology
Outgoing Cholesta-3,5-dien-7-one (CHEBI:79859) is a cholestanoid (CHEBI:50401)
Manual Xref Database
C15357 KEGG COMPOUND
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Registry Number Type Source
567-72-6 CAS Registry Number KEGG COMPOUND