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CHEBI:1298 - 21-hydroxy-5β-pregnane-3,11,20-trione

ChEBI IDCHEBI:1298
ChEBI Name21-hydroxy-5β-pregnane-3,11,20-trione
Stars
ASCII Name21-hydroxy-5beta-pregnane-3,11,20-trione
Secondary ChEBI IDsCHEBI:172122, CHEBI:746891
Last Modified21 November 2025
Submitterlaimo, MetaboLights
DownloadsMolfile
FormulaC21H30O4
Net Charge0
Average Mass346.467
Monoisotopic Mass346.21441
SMILES[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])(C(=O)CO)[C@@]4(C)CC(=O)[C@]3([H])[C@@]1(C)CCC(=O)C2
InChIInChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12,14-16,19,22H,3-11H2,1-2H3/t12-,14+,15+,16-,19-,20+,21+/m1/s1
InChIKeyZDUVZJUTJOBJHS-XYEQKYNMSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
ChEBI Ontology
Outgoing Relation(s)
21-hydroxy-5β-pregnane-3,11,20-trione (CHEBI:1298) has functional parent 11-dehydrocorticosterone (CHEBI:78600)
21-hydroxy-5β-pregnane-3,11,20-trione (CHEBI:1298) is a 11-oxo steroid (CHEBI:47787)
21-hydroxy-5β-pregnane-3,11,20-trione (CHEBI:1298) is a 20-oxo steroid (CHEBI:36885)
21-hydroxy-5β-pregnane-3,11,20-trione (CHEBI:1298) is a 21-hydroxy steroid (CHEBI:35344)
21-hydroxy-5β-pregnane-3,11,20-trione (CHEBI:1298) is a 3-oxo-5β-steroid (CHEBI:1624)
IUPAC Name 
21-hydroxy-5β-pregnane-3,11,20-trione
Synonyms  Source
21-Hydroxy-5beta-pregnane-3,11,20-trioneKEGG COMPOUND
5beta-pregnane-21-ol-3,11,20-trioneSUBMITTER
UniProt Name  Source
5beta-dihydro-11-dehydrocorticosteroneUniProt
Manual XrefsDatabases
223203ChemSpider
C05477KEGG COMPOUND
HMDB0006756HMDB
LMST02030285LIPID MAPS