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CHEBI:166772 - 11beta-Hydroxy-3,20-dioxopregn-4-en-21-oic acid

ChEBI IDCHEBI:166772
ChEBI Name11beta-Hydroxy-3,20-dioxopregn-4-en-21-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O5
Net Charge0
Average Mass376.493
Monoisotopic Mass376.22497
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@]1(C)[C@@H](C(O)CC(=O)O)CC[C@@]21[H]
InChIInChI=1S/C22H32O5/c1-21-8-7-13(23)9-12(21)3-4-14-15-5-6-16(17(24)10-19(26)27)22(15,2)11-18(25)20(14)21/h9,14-18,20,24-25H,3-8,10-11H2,1-2H3,(H,26,27)/t14-,15-,16+,17?,18-,20+,21-,22-/m0/s1
InChIKeyMSUMOHDXPKCNSB-CUOJZFFHSA-N
Roles Classification
Biological Role:
androgen  A sex hormone that stimulates or controls the development and maintenance of masculine characteristics in vertebrates by binding to androgen receptors.
ChEBI Ontology
Outgoing Relation(s)
11beta-Hydroxy-3,20-dioxopregn-4-en-21-oic acid (CHEBI:166772) has role androgen (CHEBI:50113)
11beta-Hydroxy-3,20-dioxopregn-4-en-21-oic acid (CHEBI:166772) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name 
3-hydroxy-3-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propanoic acid
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