CHEBI:82113 - Cyanthoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Cyanthoate
ChEBI ID CHEBI:82113
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C10H19N2O4PS
Net Charge 0
Average Mass 294.30800
Monoisotopic Mass 294.08032
InChI InChI=1S/C10H19N2O4PS/c1-5-15-17(14,16-6-2)18-7-9(13)12-10(3,4)8-11/h5-7H2,1-4H3,(H,12,13)
InChIKey TWDJIKFUVRYBJF-UHFFFAOYSA-N
SMILES CCOP(=O)(OCC)SCC(=O)NC(C)(C)C#N
ChEBI Ontology
Outgoing Cyanthoate (CHEBI:82113) is a nitrile (CHEBI:18379)
Cyanthoate (CHEBI:82113) is a organic thiophosphate (CHEBI:37512)
Cyanthoate (CHEBI:82113) is a secondary carboxamide (CHEBI:140325)
Manual Xrefs Databases
2746 PPDB
C18974 KEGG COMPOUND
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Registry Number Type Source
3734-95-0 CAS Registry Number KEGG COMPOUND
Last Modified
07 March 2018