EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:73166 - DAS734

ChEBI IDCHEBI:73166
ChEBI NameDAS734
Stars
DefinitionA member of the class of triazoles that is 1H-triazole that is substituted at positions 1, 3 and 5 by isopropyl, carboxymethyl and p-chlorophenyl groups, respectively. It has been found to produced bleaching of new growth on a variety of dicotyledonous weeds and is a potent inhibitor of Arabidopsis (Arabidopsis thaliana) seedling growth.
Last Modified16 April 2013
SubmitterJohnny Lloyd
DownloadsMolfile
FormulaC13H14ClN3O2
Net Charge0
Average Mass279.727
Monoisotopic Mass279.07745
SMILESCC(C)n1nc(CC(=O)O)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN3O2/c1-8(2)17-13(9-3-5-10(14)6-4-9)15-11(16-17)7-12(18)19/h3-6,8H,7H2,1-2H3,(H,18,19)
InChIKeyAINWLLILXDVSIT-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
Application:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
DAS734 (CHEBI:73166) has role herbicide (CHEBI:24527)
DAS734 (CHEBI:73166) has role plant growth retardant (CHEBI:35219)
DAS734 (CHEBI:73166) is a monocarboxylic acid (CHEBI:25384)
DAS734 (CHEBI:73166) is a organochlorine compound (CHEBI:36683)
DAS734 (CHEBI:73166) is a triazoles (CHEBI:35727)
IUPAC Name 
[5-(4-chlorophenyl)-1-isopropyl-1H-1,2,4-triazol-3-yl]acetic acid
Synonym  Source
DAS-734ChEBI
Citations