CHEBI:31818 - Mepitiostane

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Mepitiostane
ChEBI ID CHEBI:31818
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formulae C25H40O2S
C25H40O2S
Net Charge 0
Average Mass 404.651
Monoisotopic Mass 404.27490
InChI InChI=1S/C25H40O2S/c1-23-13-10-19-17(7-6-16-14-20-21(28-20)15-24(16,19)2)18(23)8-9-22(23)27-25(26-3)11-4-5-12-25/h16-22H,4-15H2,1-3H3/t16-,17-,18-,19-,20-,21+,22-,23-,24-/m0/s1
InChIKey IVDYZAAPOLNZKG-KWHRADDSSA-N
SMILES C[C@@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)[C@H](CC4)OC5(OC)CCCC5)[H])(CC[C@]1(C[C@]6([C@@](C2)(S6)[H])[H])[H])[H])[H]
ChEBI Ontology
Outgoing Mepitiostane (CHEBI:31818) is a organic molecular entity (CHEBI:50860)
Synonyms Sources
Mepitiostane KEGG COMPOUND
S-10364 DrugCentral
thioderon DrugCentral
Manual Xrefs Databases
1699 DrugCentral
D01602 KEGG DRUG
View more database links
Registry Number Type Source
21362-69-6 CAS Registry Number KEGG COMPOUND
Last Modified
22 February 2017