CHEBI:91778 - 6,9-difluoro-11-hydroxy-17-(3-hydroxy-2-oxopropyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic acid S-(fluoromethyl) ester

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ChEBI Name 6,9-difluoro-11-hydroxy-17-(3-hydroxy-2-oxopropyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic acid S-(fluoromethyl) ester
ChEBI ID CHEBI:91778
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H31F3O5S
Net Charge 0
Average Mass 500.573
Monoisotopic Mass 500.18443
InChI InChI=1S/C25H31F3O5S/c1-13-6-16-17-8-19(27)18-7-14(30)4-5-22(18,2)25(17,28)20(32)10-23(16,3)24(13,9-15(31)11-29)21(33)34-12-26/h4-5,7,13,16-17,19-20,29,32H,6,8-12H2,1-3H3
InChIKey RZXNVYCLMORIIB-UHFFFAOYSA-N
SMILES CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(CC(=O)CO)C(=O)SCF)C)O)F)C)F
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.
(via 6,9-difluoro-11-hydroxy-17-(3-hydroxy-2-oxopropyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic acid S-(fluoromethyl) ester )
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ChEBI Ontology
Outgoing 6,9-difluoro-11-hydroxy-17-(3-hydroxy-2-oxopropyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic acid S-(fluoromethyl) ester (CHEBI:91778) has role androgen (CHEBI:50113)
6,9-difluoro-11-hydroxy-17-(3-hydroxy-2-oxopropyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic acid S-(fluoromethyl) ester (CHEBI:91778) is a 3-hydroxy steroid (CHEBI:36834)
Manual Xref Database
LSM-1668 LINCS
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