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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(Acetyloxy)-9-mercaptoandrosta-3,5-diene-11,17-dione
ChEBI ID CHEBI:79515
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H26O4S
Net Charge 0
Average Mass 374.49400
Monoisotopic Mass 374.15518
InChI InChI=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
InChIKey AQIYOMKPFQCODB-NHUSPQTBSA-N
SMILES CC(=O)OC1=CC2=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC(=O)[C@]3(S)[C@@]2(C)CC1
ChEBI Ontology
Outgoing 3-(Acetyloxy)-9-mercaptoandrosta-3,5-diene-11,17-dione (CHEBI:79515) is a steroid ester (CHEBI:47880)
Manual Xref Database
C14992 KEGG COMPOUND
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