CHEBI:17445 - 3-hydroxyphenylacetic acid

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ChEBI Name 3-hydroxyphenylacetic acid
Definition A monocarboxylic acid that is phenylacetic acid in which the hydrogen at position 3 on the benzene ring is replaced by a hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:39897, CHEBI:11833, CHEBI:1550, CHEBI:20076
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Formula C8H8O3
Net Charge 0
Average Mass 152.14732
Monoisotopic Mass 152.04734
InChI InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
SMILES OC(=O)Cc1cccc(O)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.
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ChEBI Ontology
Outgoing 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 3-hydroxyphenylacetate (CHEBI:58149) is conjugate base of 3-hydroxyphenylacetic acid (CHEBI:17445)
(3-hydroxyphenyl)acetic acid
Synonyms Sources
(m-hydroxyphenyl)acetic acid ChemIDplus
3-hydroxybenzeneacetic acid ChemIDplus
3-hydroxyphenylacetic acid UniProt
3-Hydroxyphenylacetic acid KEGG COMPOUND
m-hydroxyphenylacetic acid ChemIDplus
Manual Xrefs Databases
3HP PDBeChem
HMDB0000440 HMDB
US5639643 Patent
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Registry Numbers Types Sources
2086506 Reaxys Registry Number Reaxys
2086506 Beilstein Registry Number Beilstein
621-37-4 CAS Registry Number KEGG COMPOUND
621-37-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
19083460 PubMed citation Europe PMC
20579527 PubMed citation Europe PMC
22919580 PubMed citation Europe PMC
23319439 PubMed citation Europe PMC
24287915 PubMed citation Europe PMC
5350345 PubMed citation Europe PMC
7264927 PubMed citation Europe PMC
Last Modified
23 October 2015