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CHEBI:86384 - 5β-dihydrodeoxycorticosterone

ChEBI IDCHEBI:86384
ChEBI Name5β-dihydrodeoxycorticosterone
Stars
ASCII Name5beta-dihydrodeoxycorticosterone
DefinitionA 3-oxo-5β-steroid formed from 11-deoxycorticosterone by reduction across the C4-C5 double bond.
Last Modified16 September 2021
Submitternhn
DownloadsMolfile
FormulaC21H32O3
Net Charge0
Average Mass332.484
Monoisotopic Mass332.23514
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])C(=O)CO)[C@@]1(C)CCC(=O)C2
InChIInChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13,15-18,22H,3-12H2,1-2H3/t13-,15+,16+,17+,18-,20+,21+/m1/s1
InChIKeyUSPYDUPOCUYHQL-VEVMSBRDSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (21255593)
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
5β-dihydrodeoxycorticosterone (CHEBI:86384) has functional parent 11-deoxycorticosterone (CHEBI:16973)
5β-dihydrodeoxycorticosterone (CHEBI:86384) has parent hydride 5β-pregnane (CHEBI:20674)
5β-dihydrodeoxycorticosterone (CHEBI:86384) has role human xenobiotic metabolite (CHEBI:76967)
5β-dihydrodeoxycorticosterone (CHEBI:86384) is a 20-oxo steroid (CHEBI:36885)
5β-dihydrodeoxycorticosterone (CHEBI:86384) is a 21-hydroxy steroid (CHEBI:35344)
5β-dihydrodeoxycorticosterone (CHEBI:86384) is a 3-oxo-5β-steroid (CHEBI:1624)
5β-dihydrodeoxycorticosterone (CHEBI:86384) is a primary α-hydroxy ketone (CHEBI:139590)
IUPAC Name 
(5β)-21-hydroxypregnane-3,20-dione
Synonyms  Source
21-hydroxy-5β-pregnane-3,20-dioneSUBMITTER
HydroxydioneChemIDplus
UniProt Name  Source
5β-dihydrodeoxycorticosteroneUniProt
Registry NumbersSources
Reaxys:2625659Reaxys
CAS:303-01-5ChemIDplus
Citations