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

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ChEBI Name 7-oxo-5α-cholestan-3β-ol
ChEBI ASCII Name 7-oxo-5alpha-cholestan-3beta-ol
Definition A cholestanoid that is 5α-cholestan-3β-ol carrying an additional oxo substituent at position 7.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information
Download Molfile XML SDF
Formula C27H46O2
Net Charge 0
Average Mass 402.654
Monoisotopic Mass 402.34978
InChI InChI=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
SMILES C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(C(C[C@]2(C[C@H](C1)O)[H])=O)[H])(CC[C@@]4([C@@H](CCCC(C)C)C)[H])[H])C)[H])C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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)
Synonyms Sources
(3β,5α)-3-hydroxycholestan-7-one IUPAC
5α-cholestan-7-oxo-3β-ol UniProt
7-keto-5α-cholestan-3β-ol ChEBI
7-ketocholestanol SUBMITTER
7-oxocholestanol SUBMITTER
Registry Number Type Source
3218465 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21813643 PubMed citation SUBMITTER
Last Modified
08 August 2017