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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:82113 - Cyanthoate
Main
ChEBI Ontology
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ChEBI Name
Cyanthoate
ChEBI ID
CHEBI:82113
Stars
This entity has been manually annotated by a third party.
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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
View more database links
Registry Number
Type
Source
3734-95-0
CAS Registry Number
KEGG COMPOUND
Last Modified
07 March 2018