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CHEBI:194477 - 3α,17α-dihydroxy-5α-pregnan-20-one

ChEBI IDCHEBI:194477
ChEBI Name3α,17α-dihydroxy-5α-pregnan-20-one
Stars
ASCII Name3alpha,17alpha-dihydroxy-5alpha-pregnan-20-one
Secondary ChEBI IDCHEBI:233715
Last Modified26 March 2025
SubmitterAdnan, Joanne
DownloadsMolfile
FormulaC21H34O3
Net Charge0
Average Mass334.500
Monoisotopic Mass334.25079
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4(O)C(C)=O)[C@@]1(C)CC[C@@H](O)C2
InChIInChI=1S/C21H34O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h14-18,23-24H,4-12H2,1-3H3/t14-,15+,16+,17-,18-,19-,20-,21-/m0/s1
InChIKeyLKQDFQLSEHWIRK-JRRMKBMNSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) Urine (NCIT:C13283) PubMed (16608896)
Rattus norvegicus (ncbitaxon:10116) ovary (BTO:0000975) PubMed (1248442)
Mus musculus (ncbitaxon:10090) transfer RNA (CHEBI:17843) PubMed (1009130)
Roles Classification
Biological Roles:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
rat metabolite  Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
3α,17α-dihydroxy-5α-pregnan-20-one (CHEBI:194477) has role human urinary metabolite (CHEBI:84087)
3α,17α-dihydroxy-5α-pregnan-20-one (CHEBI:194477) has role mouse metabolite (CHEBI:75771)
3α,17α-dihydroxy-5α-pregnan-20-one (CHEBI:194477) has role rat metabolite (CHEBI:86264)
3α,17α-dihydroxy-5α-pregnan-20-one (CHEBI:194477) is a 17α-hydroxy-C21-steroid (CHEBI:138141)
3α,17α-dihydroxy-5α-pregnan-20-one (CHEBI:194477) is a 20-oxo steroid (CHEBI:36885)
3α,17α-dihydroxy-5α-pregnan-20-one (CHEBI:194477) is a 3α-hydroxy steroid (CHEBI:36835)
IUPAC Name 
3α,17-dihydroxy-5α-pregnan-20-one
Synonyms  Source
(3α,5α)-3,17-dihydroxypregnan-20-oneChEBI
5α-pregnane-3α,17α-diol-20-oneChEBI
5α-pregnan-3α,17α-diol-20-oneChEBI
17α-hydroxyallopregnanoloneChEBI
5α-Pregnan-3α,17-diol-20-oneChEBI
17-OH allopregnanoloneChEBI
UniProt Name  Source
3α,17α-dihydroxy-5α-pregnan-20-oneUniProt
Registry NumbersSources
CAS:6890-65-9ChEBI
Citations