EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:83451 - acetochlor OXA

ChEBI IDCHEBI:83451
ChEBI Nameacetochlor OXA
Stars
DefinitionA monocarboxylic acid that is oxoacetic acid substituted by a (ethoxymethyl)(2-ethyl-6-methylphenyl)amino group at position 2. It is a metabolite of acetochlor.
Last Modified5 November 2014
DownloadsMolfile
FormulaC14H19NO4
Net Charge0
Average Mass265.309
Monoisotopic Mass265.13141
SMILESCCOCN(C(=O)C(=O)O)c1c(C)cccc1CC
InChIInChI=1S/C14H19NO4/c1-4-11-8-6-7-10(3)12(11)15(9-19-5-2)13(16)14(17)18/h6-8H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyOTKTUNJJKYTOFF-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)
acetochlor OXA (CHEBI:83451) has role marine xenobiotic metabolite (CHEBI:83399)
acetochlor OXA (CHEBI:83451) is a aromatic amide (CHEBI:62733)
acetochlor OXA (CHEBI:83451) is a ether (CHEBI:25698)
acetochlor OXA (CHEBI:83451) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
[(ethoxymethyl)(2-ethyl-6-methylphenyl)amino](oxo)acetic acid
Synonym  Source
acetochlor oxanilic acidChEBI
Registry NumbersSources
Reaxys:7819652Reaxys
Citations