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CHEBI:83461 - dimethenamide ESA

ChEBI IDCHEBI:83461
ChEBI Namedimethenamide ESA
Stars
DefinitionAn organosulfonic acid that is 2-oxoethanesulfonic acid substituted by a (2,4-dimethylthiophen-3-yl)(1-methoxypropan-2-yl)amino group at position 2.
Last Modified7 November 2014
DownloadsMolfile
FormulaC12H19NO5S2
Net Charge0
Average Mass321.420
Monoisotopic Mass321.07046
SMILESCOCC(C)N(C(=O)CS(=O)(=O)O)c1c(C)csc1C
InChIInChI=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)
InChIKeyYMYKMSAZEZQEER-UHFFFAOYSA-N
Roles Classification
Biological Role:
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
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 NumbersSources
Reaxys:8150251Reaxys