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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.
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This entity has been manually annotated by the ChEBI Team.
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Molfile
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.
View more via ChEBI Ontology
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