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CHEBI:233589 - 5α-pregnan-3,11,20-trione

ChEBI IDCHEBI:233589
ChEBI Name5α-pregnan-3,11,20-trione
Stars
ASCII Name5alpha-pregnan-3,11,20-trione
DefinitionA C21-steroid that is 5α-pregnane substituted by oxo groups at positions 3, 11 and 20. It is a metabolite of progesterone.
Submitternhn
DownloadsMolfile
FormulaC21H30O3
Net Charge0
Average Mass330.468
Monoisotopic Mass330.21949
SMILES[H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@H](C(C)=O)[C@@]4(C)CC(=O)[C@]3([H])[C@@]1(C)CCC(=O)C2
InChIInChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13,15-17,19H,4-11H2,1-3H3/t13-,15-,16+,17-,19+,20-,21+/m0/s1
InChIKeyAHRWWYGWQKBKBF-MUGXHADPSA-N
ChEBI Ontology
Outgoing Relation(s)
5α-pregnan-3,11,20-trione (CHEBI:233589) has parent hydride 5α-pregnane (CHEBI:20656)
5α-pregnan-3,11,20-trione (CHEBI:233589) is a 11-oxo steroid (CHEBI:47787)
5α-pregnan-3,11,20-trione (CHEBI:233589) is a 20-oxo steroid (CHEBI:36885)
5α-pregnan-3,11,20-trione (CHEBI:233589) is a 3-oxo-5α-steroid (CHEBI:13601)
5α-pregnan-3,11,20-trione (CHEBI:233589) is a C21-steroid (CHEBI:61313)
Synonym  Source
11K-DHP4SUBMITTER
UniProt Name  Source
5α-pregnan-3,11,20-trioneUniProt
Citations