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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cholest-5-en-3-one
ChEBI ID CHEBI:63906
Definition A 3-oxo Δ5-steroid that is cholesterol in which the alcoholic hydroxy group has been oxidised to the corresponding ketone.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C27H44O
Net Charge 0
Average Mass 384.63770
Monoisotopic Mass 384.33922
InChI InChI=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
InChIKey GGCLNOIGPMGLDB-GYKMGIIDSA-N
SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
5-cholesten-3-one ChemIDplus
cholest-5-en-3-one UniProt
cholestenone ChemIDplus
cholesterone ChemIDplus
Δ5-cholestenone ChemIDplus
oxidized cholesterol ChemIDplus
Registry Numbers Types Sources
2224118 Reaxys Registry Number Reaxys
601-54-7 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
21208358 PubMed citation Europe PMC
Last Modified
14 February 2012