CHEBI:79698 - 17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate
ChEBI ID CHEBI:79698
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H34O4S
Net Charge 0
Average Mass 418.58900
Monoisotopic Mass 418.21778
InChI InChI=1S/C24H34O4S/c1-5-21(27)28-20-9-8-16-15-6-7-18-22(29-14(2)25)19(26)11-13-23(18,3)17(15)10-12-24(16,20)4/h15-17,20H,5-13H2,1-4H3/t15-,16-,17-,20-,23+,24-/m0/s1
InChIKey AJPSTLTYGUDWEO-FHSUWLEUSA-N
SMILES CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(SC(C)=O)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
ChEBI Ontology
Outgoing 17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate (CHEBI:79698) is a steroid ester (CHEBI:47880)
Manual Xref Database
C15180 KEGG COMPOUND
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