phenoxyacetic acid (CHEBI:8075)

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ChEBI Name	phenoxyacetic acid

ChEBI ID	CHEBI:8075

Definition	A monocarboxylic acid that is the O-phenyl derivative of glycolic acid. A metabolite of 2-phenoxyethanol, it is used in the manufacture of pharmaceuticals, pesticides, fungicides and dyes.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C8H8O3

Net Charge

Average Mass

152.14732

Monoisotopic Mass

152.04734

InChI

InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)

InChIKey

LCPDWSOZIOUXRV-UHFFFAOYSA-N

SMILES

OC(=O)COc1ccccc1

Metabolite of Species	Details
Aspergillus niger (NCBI:txid5061)	of strain var. Tieghem. See: Phytochemistry, 1988, 27(10), 3169-3173

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	allergen A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy. human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . plant growth retardant

ChEBI Ontology
Outgoing	phenoxyacetic acid (CHEBI:8075) has functional parent glycolic acid (CHEBI:17497) phenoxyacetic acid (CHEBI:8075) has role Aspergillus metabolite (CHEBI:76956) phenoxyacetic acid (CHEBI:8075) has role allergen (CHEBI:50904) phenoxyacetic acid (CHEBI:8075) has role human xenobiotic metabolite (CHEBI:76967) phenoxyacetic acid (CHEBI:8075) has role plant growth retardant (CHEBI:35219) phenoxyacetic acid (CHEBI:8075) is a aromatic ether (CHEBI:35618) phenoxyacetic acid (CHEBI:8075) is a monocarboxylic acid (CHEBI:25384) phenoxyacetic acid (CHEBI:8075) is conjugate acid of phenoxyacetate (CHEBI:38846)

Incoming	2-(2-Isopropyl-5-methylphenoxy)acetic acid (CHEBI:229531) has functional parent phenoxyacetic acid (CHEBI:8075) chlorophenoxyacetic acid (CHEBI:23152) has functional parent phenoxyacetic acid (CHEBI:8075) phenoxyacetyl-CoA (CHEBI:28964) has functional parent phenoxyacetic acid (CHEBI:8075) phenoxyacetate (CHEBI:38846) is conjugate base of phenoxyacetic acid (CHEBI:8075)

IUPAC Name

phenoxyacetic acid

Last Modified

12 March 2019