EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:83473 - flufenacet ESA

ChEBI IDCHEBI:83473
ChEBI Nameflufenacet ESA
Stars
DefinitionAn organosulfonic acid that is 2-oxoethanesulfonic acid substituted by a (4-fluorophenyl)(propan-2-yl)amino group at position 2. It is metabolite of the herbicide flufenacet.
Last Modified10 November 2014
DownloadsMolfile
FormulaC11H14FNO4S
Net Charge0
Average Mass275.301
Monoisotopic Mass275.06276
SMILESCC(C)N(C(=O)CS(=O)(=O)O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO4S/c1-8(2)13(11(14)7-18(15,16)17)10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3,(H,15,16,17)
InChIKeySZCMHDLOUVZYST-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)
flufenacet ESA (CHEBI:83473) has role marine xenobiotic metabolite (CHEBI:83399)
flufenacet ESA (CHEBI:83473) is a aromatic amide (CHEBI:62733)
flufenacet ESA (CHEBI:83473) is a monofluorobenzenes (CHEBI:83575)
flufenacet ESA (CHEBI:83473) is a organosulfonic acid (CHEBI:33551)
IUPAC Name 
2-[(4-fluorophenyl)(propan-2-yl)amino]-2-oxoethanesulfonic acid