CHEBI:72631 - 3-phenoxybenzoic acid

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ChEBI Name 3-phenoxybenzoic acid
Definition A phenoxybenzoic acid in which the phenoxy group is meta to the carboxy group. It is a metabolite of pyrethroid insecticides.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C13H10O3
Net Charge 0
Average Mass 214.21670
Monoisotopic Mass 214.06299
InChI InChI=1S/C13H10O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15)
SMILES OC(=O)c1cccc(Oc2ccccc2)c1
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): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
marine xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
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ChEBI Ontology
Outgoing 3-phenoxybenzoic acid (CHEBI:72631) has role human xenobiotic metabolite (CHEBI:76967)
3-phenoxybenzoic acid (CHEBI:72631) has role marine xenobiotic metabolite (CHEBI:83399)
3-phenoxybenzoic acid (CHEBI:72631) is a phenoxybenzoic acid (CHEBI:72633)
3-phenoxybenzoic acid
Synonyms Sources
3-carboxybiphenyl ether ChEBI
3-carboxydiphenyl ether ChEBI
diphenyl ether 3-carboxylic acid ChEBI
m-carboxydiphenyl ether ChEBI
m-phenoxybenzoic acid ChEBI
meta-phenoxybenzoic acid ChEBI
Manual Xref Database
HMDB0041807 HMDB
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Registry Numbers Types Sources
2105574 Reaxys Registry Number Reaxys
3739-38-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
19081088 PubMed citation Europe PMC
19458958 PubMed citation Europe PMC
19853000 PubMed citation Europe PMC
21238715 PubMed citation Europe PMC
21571933 PubMed citation Europe PMC
21717113 PubMed citation Europe PMC
23146693 PubMed citation Europe PMC
23226289 PubMed citation Europe PMC
6114835 PubMed citation Europe PMC
6114836 PubMed citation Europe PMC
8409231 PubMed citation Europe PMC
Last Modified
10 November 2014