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CHEBI:83449 - alachlor ESA

ChEBI IDCHEBI:83449
ChEBI Namealachlor ESA
Stars
DefinitionAn organosulfonic acid that is 2-oxoethanesulfonic acid substituted by (2,6-diethylphenyl)(methoxymethyl)amino group at position 2. It is a metabolite of alachlor.
Last Modified5 November 2014
DownloadsMolfile
FormulaC14H21NO5S
Net Charge0
Average Mass315.391
Monoisotopic Mass315.11404
SMILESCCc1cccc(CC)c1N(COC)C(=O)CS(=O)(=O)O
InChIInChI=1S/C14H21NO5S/c1-4-11-7-6-8-12(5-2)14(11)15(10-20-3)13(16)9-21(17,18)19/h6-8H,4-5,9-10H2,1-3H3,(H,17,18,19)
InChIKeyUTCJUUGCHWHUNI-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)
alachlor ESA (CHEBI:83449) has role marine xenobiotic metabolite (CHEBI:83399)
alachlor ESA (CHEBI:83449) is a aromatic amide (CHEBI:62733)
alachlor ESA (CHEBI:83449) is a ether (CHEBI:25698)
alachlor ESA (CHEBI:83449) is a organosulfonic acid (CHEBI:33551)
IUPAC Name 
2-[(2,6-diethylphenyl)(methoxymethyl)amino]-2-oxoethanesulfonic acid
Synonym  Source
alachlor ethanesulfonic acidChEBI
Registry NumbersSources
Reaxys:7826742Reaxys
CAS:142363-53-9ChemIDplus
Citations