CHEBI:83483 - metazachlor OXA

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ChEBI Name metazachlor OXA
ChEBI ID CHEBI:83483
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C14H15N3O3
Net Charge 0
Average Mass 273.28720
Monoisotopic Mass 273.11134
InChI InChI=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)
InChIKey PHMHHVKFXZNTKU-UHFFFAOYSA-N
SMILES Cc1cccc(C)c1N(Cn1cccn1)C(=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): marine xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
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ChEBI Ontology
Outgoing 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
Last Modified
12 November 2014