CHEBI:81978 - Tri-allate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Tri-allate
ChEBI ID CHEBI:81978
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C10H16Cl3NOS
Net Charge 0
Average Mass 304.66400
Monoisotopic Mass 303.00182
InChI InChI=1S/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3
InChIKey MWBPRDONLNQCFV-UHFFFAOYSA-N
SMILES CC(C)N(C(C)C)C(=O)SCC(Cl)=C(Cl)Cl
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Tri-allate (CHEBI:81978) is a tertiary amine (CHEBI:32876)
Synonym Source
Triallate KEGG COMPOUND
Manual Xrefs Databases
650 PPDB
C18813 KEGG COMPOUND
LSM-25662 LINCS
View more database links
Registry Number Type Source
2303-17-5 CAS Registry Number KEGG COMPOUND
Last Modified
25 February 2016