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CHEBI:79515 - 3-(Acetyloxy)-9-mercaptoandrosta-3,5-diene-11,17-dione

ChEBI IDCHEBI:79515
ChEBI Name3-(Acetyloxy)-9-mercaptoandrosta-3,5-diene-11,17-dione
Stars
DownloadsMolfile
FormulaC21H26O4S
Net Charge0
Average Mass374.502
Monoisotopic Mass374.15518
SMILES[H][C@@]12CC=C3C=C(OC(C)=O)CC[C@]3(C)[C@@]1(S)C(=O)C[C@]1(C)C(=O)CC[C@@]21[H]
InChIInChI=1S/C21H26O4S/c1-12(22)25-14-8-9-20(3)13(10-14)4-5-16-15-6-7-17(23)19(15,2)11-18(24)21(16,20)26/h4,10,15-16,26H,5-9,11H2,1-3H3/t15-,16-,19-,20-,21-/m0/s1
InChIKeyAQIYOMKPFQCODB-NHUSPQTBSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(Acetyloxy)-9-mercaptoandrosta-3,5-diene-11,17-dione (CHEBI:79515) is a steroid ester (CHEBI:47880)
Manual XrefsDatabases
C14992KEGG COMPOUND