CHEBI:83520 - propachlor OXA

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ChEBI Name propachlor OXA
ChEBI ID CHEBI:83520
Definition A monocarboxylic acid that is oxoacetic acid substituted by a phenyl(propan-2-yl)amino group at position 2. It is a metabolite of the herbicide propachlor.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C11H13NO3
Net Charge 0
Average Mass 207.22580
Monoisotopic Mass 207.08954
InChI InChI=1S/C11H13NO3/c1-8(2)12(10(13)11(14)15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15)
InChIKey HYHJOUPYTUBFIX-UHFFFAOYSA-N
SMILES CC(C)N(C(=O)C(O)=O)c1ccccc1
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 propachlor OXA (CHEBI:83520) has role marine xenobiotic metabolite (CHEBI:83399)
propachlor OXA (CHEBI:83520) is a anilide (CHEBI:13248)
propachlor OXA (CHEBI:83520) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name
oxo[phenyl(propan-2-yl)amino]acetic acid
Synonym Source
N-isopropyl-N-phenyloxamic acid ChemIDplus
Registry Numbers Types Sources
70628-36-3 CAS Registry Number ChemIDplus
8762695 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
438465 PubMed citation Europe PMC
Last Modified
10 November 2014