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CHEBI:233592 - 5α-pregnan-3α,11β-diol-20-one

ChEBI IDCHEBI:233592
ChEBI Name5α-pregnan-3α,11β-diol-20-one
Stars
ASCII Name5alpha-pregnan-3alpha,11beta-diol-20-one
DefinitionA C21-steroid that is 5α-pregnane substituted by an α-hydroxy group at position 3, a β-hydroxy group at position 11 and an oxo group at position 20. It is a metabolite of progesterone.
Submitternhn
DownloadsMolfile
FormulaC21H34O3
Net Charge0
Average Mass334.500
Monoisotopic Mass334.25079
SMILES[H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@H](C(C)=O)[C@@]4(C)C[C@H](O)[C@]3([H])[C@@]1(C)CC[C@@H](O)C2
InChIInChI=1S/C21H34O3/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/h13-19,23-24H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,18-,19+,20-,21+/m0/s1
InChIKeyNFVCQZNBRFPYOP-DAVHWALQSA-N
ChEBI Ontology
Outgoing Relation(s)
5α-pregnan-3α,11β-diol-20-one (CHEBI:233592) has parent hydride 5α-pregnane (CHEBI:20656)
5α-pregnan-3α,11β-diol-20-one (CHEBI:233592) is a 11β-hydroxy steroid (CHEBI:35346)
5α-pregnan-3α,11β-diol-20-one (CHEBI:233592) is a 20-oxo steroid (CHEBI:36885)
5α-pregnan-3α,11β-diol-20-one (CHEBI:233592) is a 3α-hydroxy steroid (CHEBI:36835)
5α-pregnan-3α,11β-diol-20-one (CHEBI:233592) is a C21-steroid (CHEBI:61313)
Synonym  Source
3,11diOH-DHP4SUBMITTER
UniProt Name  Source
3α,11β-dihydroxy-5α-pregnan-20-oneUniProt
Citations