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CHEBI:83450 - alachlor OXA

ChEBI IDCHEBI:83450
ChEBI Namealachlor OXA
Stars
DefinitionAn 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.
Last Modified5 November 2014
DownloadsMolfile
FormulaC14H19NO4
Net Charge0
Average Mass265.309
Monoisotopic Mass265.13141
SMILESCCc1cccc(CC)c1N(COC)C(=O)C(=O)O
InChIInChI=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)
InChIKeyMHCYOELBTPOBIU-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)
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 acidChEBI
Registry NumbersSources
Reaxys:7819651Reaxys
Citations