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CHEBI:16175 - cholest-4-en-3-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cholest-4-en-3-one
ChEBI ID CHEBI:16175
Definition A cholestanoid that is cholest-4-ene substituted by an oxo group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:3657, CHEBI:13979, CHEBI:23171, CHEBI:86563
Supplier Information
Save molfile Download Molfile
Formula C27H44O
Net Charge 0
Average Mass 384.63766
Monoisotopic Mass 384.339
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/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey NYOXRYYXRWJDKP-GYKMGIIDSA-N
SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C
Metabolite of Species Details
Homo sapiens (NCBI:9606) 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 cholest-4-en-3-one (CHEBI:16175) has role human metabolite (CHEBI:77746)
cholest-4-en-3-one (CHEBI:16175) is a 3-oxo Δ4-steroid (CHEBI:47909)
cholest-4-en-3-one (CHEBI:16175) is a cholestanoid (CHEBI:50401)
Incoming 26-hydroxycholest-4-en-3-one (CHEBI:63640) has functional parent cholest-4-en-3-one (CHEBI:16175)
3-ketocholest-4-en-26-al (CHEBI:83746) has functional parent cholest-4-en-3-one (CHEBI:16175)
IUPAC Name
cholest-4-en-3-one
Synonyms Sources
4-cholesten-3-one ChEBI
4-Cholesten-3-one KEGG COMPOUND
Cholest-4-en-3-one KEGG COMPOUND
cholest-4-en-3-one UniProt
Cholestenone KEGG COMPOUND
Database Links Databases
C00036093 KNApSAcK
C00599 KEGG COMPOUND
CPD-323 MetaCyc
HMDB00921 HMDB
K2B PDBeChem
LMST01010015 LIPID MAPS
View more database links
Registry Number Type Source
601-57-0 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
24465993 PubMed citation Europe PMC
24565079 PubMed citation Europe PMC
24927729 PubMed citation Europe PMC
Last Modified
23 October 2015