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CHEBI:28478 - (2-hydroxyphenyl)acetic acid

ChEBI IDCHEBI:28478
ChEBI Name(2-hydroxyphenyl)acetic acid
Stars
DefinitionA hydroxy monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 2-hydroxyphenyl group. It is a metabolite of phenylalanine and is excreted in the urine of patients suffering from diseases like phenylketonuria.
Secondary ChEBI IDsCHEBI:1169, CHEBI:19655
Last Modified27 January 2016
DownloadsMolfile
FormulaC8H8O3
Net Charge0
Average Mass152.149
Monoisotopic Mass152.04734
SMILESO=C(O)Cc1ccccc1O
InChIInChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
InChIKeyCCVYRRGZDBSHFU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (13658992)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Penicillium chrysogenum (ncbitaxon:5076) mycelium (BTO:0001436) PubMed (21381678) Fungus isolated from the root surface of Rhizophora stylosa, EtOAc extract of fermentation broth Strain: PXP 55
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
(2-hydroxyphenyl)acetic acid (CHEBI:28478) has functional parent acetic acid (CHEBI:15366)
(2-hydroxyphenyl)acetic acid (CHEBI:28478) has functional parent phenol (CHEBI:15882)
(2-hydroxyphenyl)acetic acid (CHEBI:28478) has role human metabolite (CHEBI:77746)
(2-hydroxyphenyl)acetic acid (CHEBI:28478) has role mouse metabolite (CHEBI:75771)
(2-hydroxyphenyl)acetic acid (CHEBI:28478) is a hydroxy monocarboxylic acid (CHEBI:35868)
(2-hydroxyphenyl)acetic acid (CHEBI:28478) is a phenols (CHEBI:33853)
(2-hydroxyphenyl)acetic acid (CHEBI:28478) is conjugate acid of (2-hydroxyphenyl)acetate (CHEBI:62423)
Incoming Relation(s)
(2-hydroxyphenyl)acetate (CHEBI:62423) is conjugate base of (2-hydroxyphenyl)acetic acid (CHEBI:28478)
IUPAC Name 
(2-hydroxyphenyl)acetic acid
Synonyms  Source
2-hydroxybenzeneacetic acidChemIDplus
2-hydroxyphenylacetic acidChemIDplus
2'-hydroxyphenylacetic acidChEBI
(o-hydroxyphenyl)acetic acidNIST Chemistry WebBook
o-hydroxyphenylacetic acidChemIDplus
Manual XrefsDatabases
C05852KEGG COMPOUND
HMDB0000669HMDB
OHPPDBeChem
Registry NumbersSources
Reaxys:908000Reaxys
CAS:614-75-5NIST Chemistry WebBook
CAS:614-75-5ChemIDplus
CAS:614-75-5KEGG COMPOUND
Citations