CHEBI:79442 - 9-Thiocyanato-androst-4-ene-3,11,17-trione

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ChEBI Name 9-Thiocyanato-androst-4-ene-3,11,17-trione
ChEBI ID CHEBI:79442
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H23NO3S
Net Charge 0
Average Mass 357.46700
Monoisotopic Mass 357.13986
InChI InChI=1S/C20H23NO3S/c1-18-10-17(24)20(25-11-21)15(14(18)5-6-16(18)23)4-3-12-9-13(22)7-8-19(12,20)2/h9,14-15H,3-8,10H2,1-2H3/t14-,15-,18-,19-,20-/m0/s1
InChIKey DWIXJBBZGSOVLL-ZESOOZHZSA-N
SMILES C[C@]12CC(=O)[C@@]3(SC#N)[C@@H](CCC4=CC(=O)CC[C@]34C)[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.
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ChEBI Ontology
Outgoing 9-Thiocyanato-androst-4-ene-3,11,17-trione (CHEBI:79442) has role androgen (CHEBI:50113)
9-Thiocyanato-androst-4-ene-3,11,17-trione (CHEBI:79442) is a 3-hydroxy steroid (CHEBI:36834)
Manual Xref Database
C14917 KEGG COMPOUND
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