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

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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
Monoisotopic Mass 290.225
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
Mus musculus (NCBI:10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:9606) See: DOI
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
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) has role mouse metabolite (CHEBI:75771)
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
3α-hydroxy-5β-androstan-17-one UniProt
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
HMDB0000490 HMDB
LMST02020059 LIPID MAPS
View more database links
Registry Numbers Types Sources
2217625 Beilstein Registry Number Beilstein
2217625 Reaxys Registry Number Reaxys
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 Europe PMC
301822 PubMed citation Europe PMC
663966 PubMed citation Europe PMC
Last Modified
18 October 2017