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CHEBI:16418 - (20S)-17,20-dihydroxypregn-4-en-3-one

ChEBI IDCHEBI:16418
ChEBI Name(20S)-17,20-dihydroxypregn-4-en-3-one
Stars
ASCII Name(20S)-17,20-dihydroxypregn-4-en-3-one
DefinitionThe (20S)-stereoisomer of 17,20-dihydroxypregn-4-en-3-one.
Secondary ChEBI IDsCHEBI:784, CHEBI:11337, CHEBI:19169
Last Modified12 January 2022
DownloadsMolfile
FormulaC21H32O3
Net Charge0
Average Mass332.484
Monoisotopic Mass332.23514
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(O)[C@H](C)O
InChIInChI=1S/C21H32O3/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/h12-13,16-18,22,24H,4-11H2,1-3H3/t13-,16+,17-,18-,19-,20-,21-/m0/s1
InChIKeyMASCESDECGBIBB-HNXXTFFGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
(20S)-17,20-dihydroxypregn-4-en-3-one (CHEBI:16418) has role mouse metabolite (CHEBI:75771)
(20S)-17,20-dihydroxypregn-4-en-3-one (CHEBI:16418) is a 17,20-dihydroxypregn-4-en-3-one (CHEBI:36726)
IUPAC Name 
(20S)-17,20-dihydroxypregn-4-en-3-one
Synonym  Source
17alpha,20alpha-Dihydroxypregn-4-en-3-oneKEGG COMPOUND
UniProt Name  Source
(17R,20S)-17,20-dihydroxypregn-4-en-3-oneUniProt
Manual XrefsDatabases
C04518KEGG COMPOUND
Registry NumbersSources
Beilstein:6223300Beilstein
Reaxys:3214896Reaxys
CAS:652-69-7KEGG COMPOUND