CHEBI:79676 - 3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one
ChEBI ID CHEBI:79676
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H30O2
Net Charge 0
Average Mass 314.46170
Monoisotopic Mass 314.22458
InChI InChI=1S/C21H30O2/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/h1,14-17,23H,5-13H2,2-3H3/t14-,15-,16-,17-,19-,20-,21-/m0/s1
InChIKey QDYCOIXEXYKTPX-DGWDJNBYSA-N
SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(CC[C@]34C)C#C)[C@@H]1CCC2=O
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one (CHEBI:79676) has role androgen (CHEBI:50113)
3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one (CHEBI:79676) is a 3-hydroxy steroid (CHEBI:36834)
Manual Xref Database
C15158 KEGG COMPOUND
View more database links