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CHEBI:28453 - (20S)-20-hydroxypregn-4-en-3-one

ChEBI IDCHEBI:28453
ChEBI Name(20S)-20-hydroxypregn-4-en-3-one
Stars
ASCII Name(20S)-20-hydroxypregn-4-en-3-one
Secondary ChEBI IDsCHEBI:387, CHEBI:1295, CHEBI:19800
Last Modified16 May 2024
DownloadsMolfile
FormulaC21H32O2
Net Charge0
Average Mass316.485
Monoisotopic Mass316.24023
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)O
InChIInChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,16-19,22H,4-11H2,1-3H3/t13-,16-,17+,18-,19-,20-,21+/m0/s1
InChIKeyRWBRUCCWZPSBFC-RXRZZTMXSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
(20S)-20-hydroxypregn-4-en-3-one (CHEBI:28453) has role human metabolite (CHEBI:77746)
(20S)-20-hydroxypregn-4-en-3-one (CHEBI:28453) has role mouse metabolite (CHEBI:75771)
(20S)-20-hydroxypregn-4-en-3-one (CHEBI:28453) is a 20-hydroxypregn-4-en-3-one (CHEBI:36728)
IUPAC Name 
(20S)-20-hydroxypregn-4-en-3-one
Synonyms  Source
(S)-20-Hydroxypregn-4-en-3-oneKEGG COMPOUND
20alpha-Hydroxy-4-pregnen-3-oneKEGG COMPOUND
20alpha-Hydroxypregn-4-en-3-oneKEGG COMPOUND
20alpha-HydroxyprogesteroneKEGG COMPOUND
dihydroprogesteroneChemIDplus
20α-dihydroprogesteroneChEBI
UniProt Name  Source
(20S)-hydroxypregn-4-en-3-oneUniProt
Manual XrefsDatabases
C04042KEGG COMPOUND
Registry NumbersSources
Beilstein:2220567Beilstein
Beilstein:5754299Beilstein
CAS:145-14-2KEGG COMPOUND
CAS:145-14-2ChemIDplus