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CHEBI:83460 - dimethenamid OXA

ChEBI IDCHEBI:83460
ChEBI Namedimethenamid OXA
Stars
DefinitionA monocarboxylic acid that is oxoacetic acid substituted by a (2,4-dimethylthiophen-3-yl)(1-methoxypropan-2-yl)amino group at position 2. It is a metabolite of the herbicide dimethenamid.
Last Modified7 November 2014
DownloadsMolfile
FormulaC12H17NO4S
Net Charge0
Average Mass271.338
Monoisotopic Mass271.08783
SMILESCOCC(C)N(C(=O)C(=O)O)c1c(C)csc1C
InChIInChI=1S/C12H17NO4S/c1-7-6-18-9(3)10(7)13(8(2)5-17-4)11(14)12(15)16/h6,8H,5H2,1-4H3,(H,15,16)
InChIKeyHOYCASTVMCEOTP-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)
dimethenamid OXA (CHEBI:83460) has role marine xenobiotic metabolite (CHEBI:83399)
dimethenamid OXA (CHEBI:83460) is a aromatic amide (CHEBI:62733)
dimethenamid OXA (CHEBI:83460) is a ether (CHEBI:25698)
dimethenamid OXA (CHEBI:83460) is a monocarboxylic acid (CHEBI:25384)
dimethenamid OXA (CHEBI:83460) is a thiophenes (CHEBI:26961)
Synonym  Source
[(2,4-dimethylthiophen-3-yl)(1-methoxypropan-2-yl)amino](oxo)acetic acidChEBI