CHEBI:17762 - 5α-cholestan-3-one

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ChEBI Name 5α-cholestan-3-one
ChEBI ID CHEBI:17762
ChEBI ASCII Name 5alpha-cholestan-3-one
Definition A 3-oxo-5α- steroid that is 5α-cholestane substituted by an oxo group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:2141, CHEBI:12173, CHEBI:20647
Supplier Information
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Formula C27H46O
Net Charge 0
Average Mass 386.65354
Monoisotopic Mass 386.35487
InChI InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3/t19-,20+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey PESKGJQREUXSRR-UXIWKSIVSA-N
SMILES [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCCC(C)C)[C@@]1(C)CCC(=O)C2
Roles Classification
Biological Role(s): mammalian metabolite
Any animal metabolite produced during a metabolic reaction in mammals.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 5α-cholestan-3-one (CHEBI:17762) has parent hydride 5α-cholestane (CHEBI:35515)
5α-cholestan-3-one (CHEBI:17762) has role mammalian metabolite (CHEBI:75768)
5α-cholestan-3-one (CHEBI:17762) is a 3-oxo-5α-steroid (CHEBI:13601)
5α-cholestan-3-one (CHEBI:17762) is a 3-oxocholestane (CHEBI:167166)
IUPAC Name
5α-cholestan-3-one
Synonyms Sources
5alpha-cholestan-3-one ChEBI
5alpha-Cholestan-3-one KEGG COMPOUND
5α-cholestan-3-one UniProt
Manual Xrefs Databases
C03238 KEGG COMPOUND
HMDB0000871 HMDB
LMST01010174 LIPID MAPS
View more database links
Registry Numbers Types Sources
2625580 Reaxys Registry Number Reaxys
566-88-1 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
10417325 PubMed citation Europe PMC
15038058 PubMed citation Europe PMC
15918579 PubMed citation Europe PMC
17018531 PubMed citation Europe PMC
4381999 PubMed citation Europe PMC
494355 PubMed citation Europe PMC
Last Modified
22 January 2021