CHEBI:83461 - dimethenamide ESA

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ChEBI Name dimethenamide ESA
ChEBI ID CHEBI:83461
Definition An organosulfonic acid that is 2-oxoethanesulfonic acid substituted by a (2,4-dimethylthiophen-3-yl)(1-methoxypropan-2-yl)amino group at position 2.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C12H19NO5S2
Net Charge 0
Average Mass 321.41300
Monoisotopic Mass 321.07047
InChI InChI=1S/C12H19NO5S2/c1-8-6-19-10(3)12(8)13(9(2)5-18-4)11(14)7-20(15,16)17/h6,9H,5,7H2,1-4H3,(H,15,16,17)
InChIKey YMYKMSAZEZQEER-UHFFFAOYSA-N
SMILES COCC(C)N(C(=O)CS(O)(=O)=O)c1c(C)csc1C
Roles Classification
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 dimethenamide ESA (CHEBI:83461) has role marine xenobiotic metabolite (CHEBI:83399)
dimethenamide ESA (CHEBI:83461) is a aromatic amide (CHEBI:62733)
dimethenamide ESA (CHEBI:83461) is a ether (CHEBI:25698)
dimethenamide ESA (CHEBI:83461) is a organosulfonic acid (CHEBI:33551)
dimethenamide ESA (CHEBI:83461) is a thiophenes (CHEBI:26961)
IUPAC Name
2-[(2,4-dimethylthiophen-3-yl)(1-methoxypropan-2-yl)amino]-2-oxoethanesulfonic acid
Registry Number Type Source
8150251 Reaxys Registry Number Reaxys
Last Modified
07 November 2014
General Comment
2014-10-29 Metabolite of Dimethenamid