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> Main
CHEBI:83451 - acetochlor OXA
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ChEBI Name
acetochlor OXA
ChEBI ID
CHEBI:83451
Definition
A 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.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C14H19NO4
Net Charge
0
Average Mass
265.30500
Monoisotopic Mass
265.13141
InChI
InChI=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)
InChIKey
OTKTUNJJKYTOFF-UHFFFAOYSA-N
SMILES
CCOCN(C(=O)C(O)=O)c1c(C)cccc1CC
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
marine xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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 acid
ChEBI
Registry Number
Type
Source
7819652
Reaxys Registry Number
Reaxys
Citations
Types
Sources
10805235
PubMed citation
Europe PMC
15888886
PubMed citation
Europe PMC
20206657
PubMed citation
Europe PMC
24691721
PubMed citation
Europe PMC
Last Modified
05 November 2014
General Comments
2014-10-29
Metabolite of Acetochlor
2014-10-29
Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag