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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cholest-4-en-3-one
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
Download Molfile XML SDF
Formula C27H44O
Net Charge 0
Average Mass 384.63766
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/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1
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
Croton hieronymi (IPNI:342670-1) Found in aerial part (BTO:0001658). See: PubMed
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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) has role plant metabolite (CHEBI:76924)
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 25-hydroxycholest-4-en-3-one (CHEBI:155845) has functional parent cholest-4-en-3-one (CHEBI:16175)
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)
7α,25-dihydroxy-4-cholesten-3-one (CHEBI:81013) has functional parent cholest-4-en-3-one (CHEBI:16175)
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
Manual Xrefs Databases
C00036093 KNApSAcK
CPD-323 MetaCyc
FDB022319 FooDB
HMDB0000921 HMDB
K2B PDBeChem
View more database links
Registry Numbers Types Sources
601-57-0 CAS Registry Number KEGG COMPOUND
601-57-0 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
10566877 PubMed citation Europe PMC
11958788 PubMed citation Europe PMC
12036855 PubMed citation Europe PMC
12777473 PubMed citation Europe PMC
12943786 PubMed citation Europe PMC
14597406 PubMed citation Europe PMC
17496168 PubMed citation Europe PMC
20671299 PubMed citation Europe PMC
24465993 PubMed citation Europe PMC
24565079 PubMed citation Europe PMC
24927729 PubMed citation Europe PMC
29201491 PubMed citation Europe PMC
29413944 PubMed citation Europe PMC
29573289 PubMed citation Europe PMC
31477154 PubMed citation Europe PMC
6892636 PubMed citation Europe PMC
Last Modified
17 June 2020