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CHEBI:186670 - 24-ketocholestanol

ChEBI IDCHEBI:186670
ChEBI Name24-ketocholestanol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H46O2
Net Charge0
Average Mass402.663
Monoisotopic Mass402.34978
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(=O)C(C)C)[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h17-24,28H,6-16H2,1-5H3/t18-,19+,20+,21+,22-,23+,24+,26+,27-/m1/s1
InChIKeyFXFASFPKXQZSRE-ATCMKXLTSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
24-ketocholestanol (CHEBI:186670) is a bile acid (CHEBI:3098)
IUPAC Name 
(6R)-6-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-3-one
Manual XrefsDatabases
113385029ChemSpider
LMST01010297LIPID MAPS