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

ChEBI IDCHEBI:16175
ChEBI Namecholest-4-en-3-one
Stars
DefinitionA cholestanoid that is cholest-4-ene substituted by an oxo group at position 3.
Secondary ChEBI IDsCHEBI:3657, CHEBI:13979, CHEBI:23171, CHEBI:86563
Last Modified17 June 2020
DownloadsMolfile
FormulaC27H44O
Net Charge0
Average Mass384.648
Monoisotopic Mass384.33922
SMILES[H][C@@]12CCC3=CC(=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/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyNYOXRYYXRWJDKP-GYKMGIIDSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (24565079)
Croton hieronymi (IPNI:342670-1) aerial part (BTO:0001658) PubMed (12943786)
Roles Classification
Biological Roles:
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.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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)
IUPAC Name 
cholest-4-en-3-one
Synonyms  Source
Cholest-4-en-3-oneKEGG COMPOUND
CholestenoneKEGG COMPOUND
4-Cholesten-3-oneKEGG COMPOUND
4-cholesten-3-oneChEBI
UniProt Name  Source
cholest-4-en-3-oneUniProt
Manual XrefsDatabases
C00599KEGG COMPOUND
C00599KEGG COMPOUND
LMST01010015LIPID MAPS
HMDB0000921HMDB
C00036093KNApSAcK
K2BPDBeChem
CPD-323MetaCyc
FDB022319FooDB
Registry NumbersSources
CAS:601-57-0KEGG COMPOUND
CAS:601-57-0NIST Chemistry WebBook
Citations