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CHEBI:82113 - Cyanthoate

ChEBI IDCHEBI:82113
ChEBI NameCyanthoate
Stars
Last Modified7 March 2018
DownloadsMolfile
FormulaC10H19N2O4PS
Net Charge0
Average Mass294.313
Monoisotopic Mass294.08031
SMILESCCOP(=O)(OCC)SCC(=O)NC(C)(C)C#N
InChIInChI=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)
InChIKeyTWDJIKFUVRYBJF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
C18974KEGG COMPOUND
2746PPDB
Registry NumbersSources
CAS:3734-95-0KEGG COMPOUND