CHEBI:17445 - 3-hydroxyphenylacetic acid

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ChEBI Name 3-hydroxyphenylacetic acid
ChEBI ID CHEBI:17445
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
Supplier Information ZINC000011592975
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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)
InChIKey FVMDYYGIDFPZAX-UHFFFAOYSA-N
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)
IUPAC Name
(3-hydroxyphenyl)acetic acid
Synonyms Sources
(m-hydroxyphenyl)acetic acid ChemIDplus
3-hydroxybenzeneacetic acid ChemIDplus
3-Hydroxyphenylacetic acid KEGG COMPOUND
m-hydroxyphenylacetic acid ChemIDplus
Manual Xrefs Databases
3-HYDROXYPHENYLACETATE MetaCyc
3HP PDBeChem
C05593 KEGG COMPOUND
HMDB0000440 HMDB
US5639643 Patent
View more database links
Registry Numbers Types Sources
2086506 Reaxys Registry Number Reaxys
621-37-4 CAS Registry Number KEGG COMPOUND
621-37-4 CAS Registry Number ChemIDplus
Citations
Last Modified
09 December 2024