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CHEBI:137062 - 7-oxo-5α-cholestan-3β-ol

ChEBI IDCHEBI:137062
ChEBI Name7-oxo-5α-cholestan-3β-ol
Stars
ASCII Name7-oxo-5alpha-cholestan-3beta-ol
DefinitionA cholestanoid that is 5α-cholestan-3β-ol carrying an additional oxo substituent at position 7.
Last Modified8 August 2017
Submitternhn
DownloadsMolfile
FormulaC27H46O2
Net Charge0
Average Mass402.663
Monoisotopic Mass402.34978
SMILES[H][C@@]12CC(=O)[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h17-23,25,28H,6-16H2,1-5H3/t18-,19-,20+,21-,22+,23+,25+,26+,27-/m1/s1
InChIKeyQIHXSWPLWOYYST-WIQRBZPFSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (21813643)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
7-oxo-5α-cholestan-3β-ol (CHEBI:137062) has functional parent (5α)-cholestan-3β-ol (CHEBI:86570)
7-oxo-5α-cholestan-3β-ol (CHEBI:137062) has role human metabolite (CHEBI:77746)
7-oxo-5α-cholestan-3β-ol (CHEBI:137062) is a 3β-hydroxy steroid (CHEBI:36836)
7-oxo-5α-cholestan-3β-ol (CHEBI:137062) is a 7-oxo steroid (CHEBI:47789)
7-oxo-5α-cholestan-3β-ol (CHEBI:137062) is a cholestanoid (CHEBI:50401)
IUPAC Name 
3β-hydroxy-5α-cholestan-7-one
Synonyms  Source
7-ketocholestanolSUBMITTER
7-oxocholestanolSUBMITTER
7-keto-5α-cholestan-3β-olChEBI
(3β,5α)-3-hydroxycholestan-7-oneIUPAC
UniProt Name  Source
5α-cholestan-7-oxo-3β-olUniProt
Registry NumbersSources
Reaxys:3218465Reaxys
Citations