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CHEBI:79714 - 3-Ethynyl-5alpha-androstane-3beta,17beta-diol

ChEBI IDCHEBI:79714
ChEBI Name3-Ethynyl-5alpha-androstane-3beta,17beta-diol
Stars
DownloadsMolfile
FormulaC21H32O2
Net Charge0
Average Mass316.485
Monoisotopic Mass316.24023
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](O)CC[C@@]34[H])[C@@]1(C)CC[C@@](O)(C#C)C2
InChIInChI=1S/C21H32O2/c1-4-21(23)12-11-19(2)14(13-21)5-6-15-16-7-8-18(22)20(16,3)10-9-17(15)19/h1,14-18,22-23H,5-13H2,2-3H3/t14-,15-,16-,17-,18-,19-,20-,21-/m0/s1
InChIKeyFOCZFVYLRBKYGM-QKSWPAOXSA-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)
3-Ethynyl-5alpha-androstane-3beta,17beta-diol (CHEBI:79714) has role androgen (CHEBI:50113)
3-Ethynyl-5alpha-androstane-3beta,17beta-diol (CHEBI:79714) is a 3-hydroxy steroid (CHEBI:36834)
Manual XrefsDatabases
C15199KEGG COMPOUND