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CHEBI:17762 - 5α-cholestan-3-one

ChEBI IDCHEBI:17762
ChEBI Name5α-cholestan-3-one
Stars
ASCII Name5alpha-cholestan-3-one
DefinitionA 3-oxo-5α- steroid that is 5α-cholestane substituted by an oxo group at position 3.
Secondary ChEBI IDsCHEBI:2141, CHEBI:12173, CHEBI:20647
Last Modified22 January 2021
DownloadsMolfile
FormulaC27H46O
Net Charge0
Average Mass386.664
Monoisotopic Mass386.35487
SMILES[H][C@@]12CC[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)CCC(=O)C2
InChIInChI=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
InChIKeyPESKGJQREUXSRR-UXIWKSIVSA-N
Roles Classification
Biological Role:
mammalian metabolite  Any animal metabolite produced during a metabolic reaction in mammals.
ChEBI Ontology
Outgoing Relation(s)
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  Source
5alpha-Cholestan-3-oneKEGG COMPOUND
5alpha-cholestan-3-oneChEBI
UniProt Name  Source
5α-cholestan-3-oneUniProt
Manual XrefsDatabases
C03238KEGG COMPOUND
C03238KEGG COMPOUND
LMST01010174LIPID MAPS
HMDB0000871HMDB
Registry NumbersSources
Reaxys:2625580Reaxys
CAS:566-88-1KEGG COMPOUND
Citations