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CHEBI:63906 - cholest-5-en-3-one

ChEBI IDCHEBI:63906
ChEBI Namecholest-5-en-3-one
Stars
DefinitionA 3-oxo Δ5-steroid that is cholesterol in which the alcoholic hydroxy group has been oxidised to the corresponding ketone.
Last Modified14 February 2012
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC27H44O
Net Charge0
Average Mass384.648
Monoisotopic Mass384.33922
SMILES[H][C@@]12CC=C3CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCCC(C)C
InChIInChI=1S/C27H44O/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/h9,18-19,22-25H,6-8,10-17H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyGGCLNOIGPMGLDB-GYKMGIIDSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
cholest-5-en-3-one (CHEBI:63906) has role metabolite (CHEBI:25212)
cholest-5-en-3-one (CHEBI:63906) is a 3-oxo-Δ5-steroid (CHEBI:47907)
cholest-5-en-3-one (CHEBI:63906) is a cholestanoid (CHEBI:50401)
IUPAC Name 
cholest-5-en-3-one
Synonyms  Source
Δ5-cholestenoneChemIDplus
5-cholesten-3-oneChemIDplus
cholesteroneChemIDplus
cholestenoneChemIDplus
oxidized cholesterolChemIDplus
UniProt Name  Source
cholest-5-en-3-oneUniProt
Registry NumbersSources
Reaxys:2224118Reaxys
CAS:601-54-7ChemIDplus
Citations