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 ChemicalBook:CB3222827, eMolecules:29549577, eMolecules:29549826, eMolecules:486674, eMolecules:8293740, ZINC000100060554
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
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
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)
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
Manual Xrefs Databases
C00036093 KNApSAcK
C00599 KEGG COMPOUND
CPD-323 MetaCyc
FDB022319 FooDB
HMDB0000921 HMDB
K2B PDBeChem
LMST01010015 LIPID MAPS
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
Last Modified
17 June 2020