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(3-chloro-4-hydroxyphenyl)acetic acid

Go to external page http://purl.obolibrary.org/obo/CHEBI_47106

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.

Term info

Label

(3-chloro-4-hydroxyphenyl)acetic acid

Synonyms
  • (3-chloro-4-hydroxyphenyl)acetic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
(3-chloro-4-hydroxyphenyl)acetic acid [ IUPAC ]

charge

0

formula

C8H7ClO3

has obo namespace

chebi_ontology

has related synonym

3-chloro-4-hydroxyphenylacetic acid, 3-Chloro-4-hydroxybenzeneacetic acid

id

CHEBI:47106

inchi

InChI=1S/C8H7ClO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12)

inchikey

IYTUKSIOQKTZEG-UHFFFAOYSA-N

mass

186.59200

monoisotopicmass

186.00837

smiles

OC(=O)Cc1ccc(O)c(Cl)c1