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CHEBI:230561 - 3,5-cholestadien-7-one

Default Structure
ChEBI IDCHEBI:230561
ChEBI Name3,5-cholestadien-7-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O
Net Charge0
Average Mass382.632
Monoisotopic Mass382.32357
SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C=CCC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=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
InChIKeyTTXJJFWWNDJDNR-CZRUWHASSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
3,5-cholestadien-7-one (CHEBI:230561) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
Manual XrefsDatabases
4446721ChemSpider
LMST01010058LIPID MAPS