CHEBI:79479 - 17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate
ChEBI ID CHEBI:79479
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H28O3S
Net Charge 0
Average Mass 372.52100
Monoisotopic Mass 372.17592
InChI InChI=1S/C22H28O3S/c1-13(23)25-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)24/h5,7,12,18-21H,4,6,8-11H2,1-3H3/t18-,19-,20+,21+,22+/m1/s1
InChIKey RVOGPLZAOZWWPL-AANPDWTMSA-N
SMILES CC(=O)Oc1ccc2[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CCc2c1)SC(C)=O
ChEBI Ontology
Outgoing 17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate (CHEBI:79479) is a steroid ester (CHEBI:47880)
Manual Xref Database
C14955 KEGG COMPOUND
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