CHEBI:175291 - Tipredane

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ChEBI Name Tipredane
ChEBI ID CHEBI:175291
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H31FO2S2
Net Charge 0
Average Mass 410.610
Monoisotopic Mass 410.17495
InChI InChI=1S/C22H31FO2S2/c1-5-27-21(26-4)11-9-16-17-7-6-14-12-15(24)8-10-19(14,2)22(17,23)18(25)13-20(16,21)3/h8,10,12,16-18,25H,5-7,9,11,13H2,1-4H3/t16-,17-,18-,19-,20-,21+,22-/m0/s1
InChIKey DXEXNWDGDYUITL-FXSSSKFRSA-N
SMILES S([C@@]1(SC)[C@@]2([C@]([C@]3([C@](F)([C@@H](O)C2)[C@@]4(C(CC3)=CC(=O)C=C4)C)[H])(CC1)[H])C)CC
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 Tipredane (CHEBI:175291) has role androgen (CHEBI:50113)
Tipredane (CHEBI:175291) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name
(8S,9R,10S,11S,13S,14S,17R)-17-ethylsulanyl-9-luoro-11-hydroxy-10,13-dimethyl-17-methylsulanyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Manual Xrefs Databases
5293158 ChemSpider
D06161 KEGG DRUG
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Registry Number Type Source
85197-77-9 CAS Registry Number ChemIDplus