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CHEBI:81978 - Tri-allate

ChEBI IDCHEBI:81978
ChEBI NameTri-allate
Stars
Last Modified25 February 2016
DownloadsMolfile
FormulaC10H16Cl3NOS
Net Charge0
Average Mass304.670
Monoisotopic Mass303.00182
SMILESCC(C)N(C(=O)SCC(Cl)=C(Cl)Cl)C(C)C
InChIInChI=1S/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3
InChIKeyMWBPRDONLNQCFV-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Tri-allate (CHEBI:81978) is a tertiary amine (CHEBI:32876)
Synonym  Source
TriallateKEGG COMPOUND
Manual XrefsDatabases
650PPDB
C18813KEGG COMPOUND
LSM-25662LINCS
Registry NumbersSources
CAS:2303-17-5KEGG COMPOUND