CHEBI:79891 - 1alpha,5alpha-Epidithio-17a-oxa-D-homoandrostan-3,17-dione

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1alpha,5alpha-Epidithio-17a-oxa-D-homoandrostan-3,17-dione
ChEBI ID CHEBI:79891
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H26O3S2
Net Charge 0
Average Mass 366.53800
Monoisotopic Mass 366.13234
InChI InChI=1S/C19H26O3S2/c1-17-7-6-14-12(13(17)3-4-16(21)22-17)5-8-19-10-11(20)9-15(23-24-19)18(14,19)2/h12-15H,3-10H2,1-2H3/t12-,13-,14-,15-,17-,18-,19+/m0/s1
InChIKey ROCVZARQFKQHCD-FQRJZAEESA-N
SMILES C[C@]12[C@@H]3CC(=O)C[C@@]1(CC[C@@H]1[C@@H]2CC[C@]2(C)OC(=O)CC[C@@H]12)SS3
ChEBI Ontology
Outgoing 1alpha,5alpha-Epidithio-17a-oxa-D-homoandrostan-3,17-dione (CHEBI:79891) is a organic heterotricyclic compound (CHEBI:26979)
1alpha,5alpha-Epidithio-17a-oxa-D-homoandrostan-3,17-dione (CHEBI:79891) is a organooxygen compound (CHEBI:36963)
Manual Xref Database
C15390 KEGG COMPOUND
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