CHEBI:47106 - (3-chloro-4-hydroxyphenyl)acetic acid

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ChEBI Name (3-chloro-4-hydroxyphenyl)acetic acid
Definition A hydroxy monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 3-chloro-4-hydroxyphenyl group. It is a major chlorinated metabolite of chlorotyrosine.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C8H7ClO3
Net Charge 0
Average Mass 186.59200
Monoisotopic Mass 186.00837
InChI InChI=1S/C8H7ClO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12)
SMILES OC(=O)Cc1ccc(O)c(Cl)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): mammalian metabolite
Any animal metabolite produced during a metabolic reaction in mammals.
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ChEBI Ontology
Outgoing (3-chloro-4-hydroxyphenyl)acetic acid (CHEBI:47106) has functional parent acetic acid (CHEBI:15366)
(3-chloro-4-hydroxyphenyl)acetic acid (CHEBI:47106) has role mammalian metabolite (CHEBI:75768)
(3-chloro-4-hydroxyphenyl)acetic acid (CHEBI:47106) is a hydroxy monocarboxylic acid (CHEBI:35868)
(3-chloro-4-hydroxyphenyl)acetic acid (CHEBI:47106) is a monochlorobenzenes (CHEBI:83403)
(3-chloro-4-hydroxyphenyl)acetic acid (CHEBI:47106) is a phenols (CHEBI:33853)
(3-chloro-4-hydroxyphenyl)acetic acid
Synonyms Sources
3-Chloro-4-hydroxybenzeneacetic acid ChemIDplus
3-chloro-4-hydroxyphenylacetic acid ChEBI
Manual Xrefs Databases
3C4 PDBeChem
CPD-10862 MetaCyc
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Registry Numbers Types Sources
2096929 Reaxys Registry Number Reaxys
33697-81-3 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
17686770 PubMed citation Europe PMC
20595238 PubMed citation Europe PMC
23067249 PubMed citation Europe PMC
Last Modified
23 October 2014