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> Main
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
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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 (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
View more via ChEBI Ontology
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
UniProt
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
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