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CHEBI:166810 - 6-Oxocholestanol

ChEBI IDCHEBI:166810
ChEBI Name6-Oxocholestanol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H46O2
Net Charge0
Average Mass402.663
Monoisotopic Mass402.34978
SMILES[H][C@]12C[C@@H](O)CC[C@]1(C)C1CC[C@@]3(C)C(CC[C@]3([H])[C@H](C)CCCC(C)C)C1CC2=O
InChIInChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20?,21-,22?,23?,24-,26-,27-/m1/s1
InChIKeyJQMQKOQOLPGBBE-ACDJNLQYSA-N
ChEBI Ontology
Outgoing Relation(s)
6-Oxocholestanol (CHEBI:166810) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(3S,5S,10R,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
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LMST01010276LIPID MAPS
92150ChemSpider