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CHEBI:17445 - 3-hydroxyphenylacetic acid

ChEBI IDCHEBI:17445
ChEBI Name3-hydroxyphenylacetic acid
Stars
DefinitionA monocarboxylic acid that is phenylacetic acid in which the hydrogen at position 3 on the benzene ring is replaced by a hydroxy group.
Secondary ChEBI IDsCHEBI:1550, CHEBI:11833, CHEBI:20076, CHEBI:39897
Last Modified9 December 2024
DownloadsMolfile
FormulaC8H8O3
Net Charge0
Average Mass152.149
Monoisotopic Mass152.04734
SMILESO=C(O)Cc1cccc(O)c1
InChIInChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
InChIKeyFVMDYYGIDFPZAX-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
3-hydroxyphenylacetic acid (CHEBI:17445) has functional parent acetic acid (CHEBI:15366)
3-hydroxyphenylacetic acid (CHEBI:17445) has role human xenobiotic metabolite (CHEBI:76967)
3-hydroxyphenylacetic acid (CHEBI:17445) is a monocarboxylic acid (CHEBI:25384)
3-hydroxyphenylacetic acid (CHEBI:17445) is a phenols (CHEBI:33853)
3-hydroxyphenylacetic acid (CHEBI:17445) is conjugate acid of 3-hydroxyphenylacetate (CHEBI:58149)
Incoming Relation(s)
3-hydroxyphenylacetate (CHEBI:58149) is conjugate base of 3-hydroxyphenylacetic acid (CHEBI:17445)
IUPAC Name 
(3-hydroxyphenyl)acetic acid
Synonyms  Source
(m-hydroxyphenyl)acetic acidChemIDplus
m-hydroxyphenylacetic acidChemIDplus
3-hydroxybenzeneacetic acidChemIDplus
3-Hydroxyphenylacetic acidKEGG COMPOUND
Manual XrefsDatabases
C05593KEGG COMPOUND
3HPPDBeChem
HMDB0000440HMDB
3-HYDROXYPHENYLACETATEMetaCyc
US5639643Patent
Registry NumbersSources
Reaxys:2086506Reaxys
CAS:621-37-4KEGG COMPOUND
CAS:621-37-4ChemIDplus
Citations