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CHEBI:38846 - phenoxyacetate

ChEBI IDCHEBI:38846
ChEBI Namephenoxyacetate
Stars
DefinitionA monocarboxylic acid anion that is the conjugate base of phenoxyacetic acid.
Last Modified3 July 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC8H7O3
Net Charge-1
Average Mass151.141
Monoisotopic Mass151.04007
SMILESO=C([O-])COc1ccccc1
InChIInChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)/p-1
InChIKeyLCPDWSOZIOUXRV-UHFFFAOYSA-M
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
phenoxyacetate (CHEBI:38846) has role human xenobiotic metabolite (CHEBI:76967)
phenoxyacetate (CHEBI:38846) is a monocarboxylic acid anion (CHEBI:35757)
phenoxyacetate (CHEBI:38846) is conjugate base of phenoxyacetic acid (CHEBI:8075)
Incoming Relation(s)
(2-methylphenoxy)acetate (CHEBI:231612) has functional parent phenoxyacetate (CHEBI:38846)
chlorophenoxyacetate anion (CHEBI:23151) has functional parent phenoxyacetate (CHEBI:38846)
phenoxyacetic acid (CHEBI:8075) is conjugate acid of phenoxyacetate (CHEBI:38846)
IUPAC Name 
phenoxyacetate
Registry NumbersSources
Gmelin:328350Gmelin
Reaxys:3905583Reaxys