CHEBI:28195 - 3α-hydroxy-5β-androstan-17-one

Main ChEBI Ontology Automatic Xrefs
ChEBI Name 3α-hydroxy-5β-androstan-17-one
ChEBI ID CHEBI:28195
ChEBI ASCII Name 3alpha-hydroxy-5beta-androstan-17-one
Definition An androstanoid that is 5β-androstane substituted by an α-hydroxy group at position 3 and an oxo group at position 17. It is a metabolite of testosterone in mammals.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:40622, CHEBI:20236, CHEBI:11904, CHEBI:1710
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Formula C19H30O2
Net Charge 0
Average Mass 290.44030
InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1
InChIKey QGXBDMJGAMFCBF-BNSUEQOYSA-N
SMILES [H][C@]12CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](O)C2
Metabolite of Species Details
Homo sapiens (NCBI:9606) See: DOI
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 3α-hydroxy-5β-androstan-17-one (CHEBI:28195) has parent hydride 5β-androstane (CHEBI:20659)
3α-hydroxy-5β-androstan-17-one (CHEBI:28195) has role human metabolite (CHEBI:77746)
3α-hydroxy-5β-androstan-17-one (CHEBI:28195) is a 17-oxo steroid (CHEBI:19168)
3α-hydroxy-5β-androstan-17-one (CHEBI:28195) is a 3α-hydroxy steroid (CHEBI:36835)
3α-hydroxy-5β-androstan-17-one (CHEBI:28195) is a androstanoid (CHEBI:50402)
Incoming 3α-hydroxy-5β-androstan-17-one 3-glucosiduronic acid (CHEBI:37451) has functional parent 3α-hydroxy-5β-androstan-17-one (CHEBI:28195)
IUPAC Name
3α-hydroxy-5β-androstan-17-one
Synonyms Sources
(3α,5β)-3-hydroxyandrostan-17-one NIST Chemistry WebBook
3α-etiocholanolone NIST Chemistry WebBook
3alpha-Hydroxy-5beta-androstan-17-one KEGG COMPOUND
3alpha-Hydroxyetiocholan-17-one KEGG COMPOUND
5-isoandrosterone ChemIDplus
5β-androstan-3α-ol-17-one NIST Chemistry WebBook
5β-androsterone NIST Chemistry WebBook
AETIOCHOLANOLONE PDBeChem
Etiocholan-3alpha-ol-17-one KEGG COMPOUND
Etiocholanolone ChemIDplus
Database Links Databases
AE2 PDBeChem
C04373 KEGG COMPOUND
DB02854 DrugBank
Etiocholanolone Wikipedia
HMDB00490 HMDB
LMST02020059 LIPID MAPS
View more database links
Registry Numbers Types Sources
2217625 Reaxys Registry Number Reaxys
2217625 Beilstein Registry Number Beilstein
53-42-9 CAS Registry Number KEGG COMPOUND
53-42-9 CAS Registry Number NIST Chemistry WebBook
53-42-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
1146492 PubMed citation CiteXplore
301822 PubMed citation CiteXplore
663966 PubMed citation CiteXplore
Last Modified
29 April 2014