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CHEBI:83482 - metazachlor ESA

ChEBI IDCHEBI:83482
ChEBI Namemetazachlor ESA
Stars
DefinitionAn organosulfonic acid that is 2-oxoethanesulfonic acid substituted by a (2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino group at position 2. It is metabolite of the herbicide metazachlor.
Last Modified11 November 2014
DownloadsMolfile
FormulaC14H17N3O4S
Net Charge0
Average Mass323.374
Monoisotopic Mass323.09398
SMILESCc1cccc(C)c1N(Cn1cccn1)C(=O)CS(=O)(=O)O
InChIInChI=1S/C14H17N3O4S/c1-11-5-3-6-12(2)14(11)17(10-16-8-4-7-15-16)13(18)9-22(19,20)21/h3-8H,9-10H2,1-2H3,(H,19,20,21)
InChIKeyIPVCSECPEVHQOV-UHFFFAOYSA-N
Roles Classification
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 ESA (CHEBI:83482) has role marine xenobiotic metabolite (CHEBI:83399)
metazachlor ESA (CHEBI:83482) is a aromatic amide (CHEBI:62733)
metazachlor ESA (CHEBI:83482) is a organosulfonic acid (CHEBI:33551)
metazachlor ESA (CHEBI:83482) is a pyrazoles (CHEBI:26410)
IUPAC Name 
2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethanesulfonic acid
Registry NumbersSources
Reaxys:8394989Reaxys