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CHEBI:83483 - metazachlor OXA

ChEBI IDCHEBI:83483
ChEBI Namemetazachlor OXA
Stars
DefinitionA monocarboxylic acid that is oxoacetic acid substituted by a (2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino group at position 2. It is metabolite of the herbicide metazachlor.
Last Modified12 November 2014
DownloadsMolfile
FormulaC14H15N3O3
Net Charge0
Average Mass273.292
Monoisotopic Mass273.11134
SMILESCc1cccc(C)c1N(Cn1cccn1)C(=O)C(=O)O
InChIInChI=1S/C14H15N3O3/c1-10-5-3-6-11(2)12(10)17(13(18)14(19)20)9-16-8-4-7-15-16/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyPHMHHVKFXZNTKU-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
metazachlor OXA (CHEBI:83483) has role marine xenobiotic metabolite (CHEBI:83399)
metazachlor OXA (CHEBI:83483) is a aromatic amide (CHEBI:62733)
metazachlor OXA (CHEBI:83483) is a monocarboxylic acid (CHEBI:25384)
metazachlor OXA (CHEBI:83483) is a pyrazoles (CHEBI:26410)
IUPAC Name 
[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino](oxo)acetic acid