CHEBI:83475 - propachlor ESA

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ChEBI Name propachlor ESA
ChEBI ID CHEBI:83475
Definition An organosulfonic acid that is 2-oxoethanesulfonic 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 C11H15NO4S
Net Charge 0
Average Mass 257.30600
Monoisotopic Mass 257.07218
InChI InChI=1S/C11H15NO4S/c1-9(2)12(10-6-4-3-5-7-10)11(13)8-17(14,15)16/h3-7,9H,8H2,1-2H3,(H,14,15,16)
InChIKey BFSZJLBDHMMCAH-UHFFFAOYSA-N
SMILES CC(C)N(C(=O)CS(O)(=O)=O)c1ccccc1
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 propachlor ESA (CHEBI:83475) has role marine xenobiotic metabolite (CHEBI:83399)
propachlor ESA (CHEBI:83475) is a anilide (CHEBI:13248)
propachlor ESA (CHEBI:83475) is a organosulfonic acid (CHEBI:33551)
IUPAC Name
2-oxo-2-[phenyl(propan-2-yl)amino]ethanesulfonic acid
Registry Number Type Source
7816302 Reaxys Registry Number Reaxys
Last Modified
10 November 2014