CHEBI:83450 - alachlor OXA

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ChEBI Name alachlor OXA
ChEBI ID CHEBI:83450
Definition An oxo monocarboxylic acid that is oxoacetic acid substituted by a (2,6-diethylphenyl)(methoxymethyl)amino group at position 2. It is a metabolite of the herbicide alachlor.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C14H19NO4
Net Charge 0
Average Mass 265.30500
Monoisotopic Mass 265.13141
InChI InChI=1S/C14H19NO4/c1-4-10-7-6-8-11(5-2)12(10)15(9-19-3)13(16)14(17)18/h6-8H,4-5,9H2,1-3H3,(H,17,18)
InChIKey MHCYOELBTPOBIU-UHFFFAOYSA-N
SMILES CCc1cccc(CC)c1N(COC)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 alachlor OXA (CHEBI:83450) has role marine xenobiotic metabolite (CHEBI:83399)
alachlor OXA (CHEBI:83450) is a aromatic amide (CHEBI:62733)
alachlor OXA (CHEBI:83450) is a ether (CHEBI:25698)
alachlor OXA (CHEBI:83450) is a oxo monocarboxylic acid (CHEBI:35871)
IUPAC Name
[(2,6-diethylphenyl)(methoxymethyl)amino](oxo)acetic acid
Synonym Source
alachlor oxanilic acid ChEBI
Registry Number Type Source
7819651 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10805235 PubMed citation Europe PMC
15843642 PubMed citation Europe PMC
20206657 PubMed citation Europe PMC
Last Modified
05 November 2014
General Comments
2014-10-29 Metabolite of Alachlor
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag