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

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ChEBI Name 11beta-Hydroxy-3,20-dioxopregn-4-en-21-oic acid
ChEBI ID CHEBI:166772
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H32O5
Net Charge 0
Average Mass 376.493
Monoisotopic Mass 376.22497
InChI InChI=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
InChIKey MSUMOHDXPKCNSB-CUOJZFFHSA-N
SMILES O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@H](CC3)C(O)CC(O)=O)(C1)C)[H])(CCC=4[C@@]2(CCC(=O)C4)C)[H])[H]
Roles Classification
Biological Role(s): androgen
A sex hormone that stimulates or controls the development and maintenance of masculine characteristics in vertebrates by binding to androgen receptors.
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ChEBI Ontology
Outgoing 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
Manual Xref Database
48063653 ChemSpider
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