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> Main
CHEBI:85239 - 4-hydroxy-3-methylbenzoic acid
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ChEBI Name
4-hydroxy-3-methylbenzoic acid
ChEBI ID
CHEBI:85239
Definition
A monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted by a methyl group at position 3.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C8H8O3
Net Charge
0
Average Mass
152.14730
Monoisotopic Mass
152.04734
InChI
InChI=1S/C8H8O3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3,(H,10,11)
InChIKey
LTFHNKUKQYVHDX-UHFFFAOYSA-N
SMILES
Cc1cc(ccc1O)C(O)=O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
Found in blood serum
(BTO:0000133)
. See:
MetaboLights Study
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 blood serum metabolite
Any metabolite (endogenous or exogenous) found in human blood serum samples.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
4-hydroxy-3-methylbenzoic acid (
CHEBI:85239
)
has role
human blood serum metabolite (
CHEBI:85234
)
4-hydroxy-3-methylbenzoic acid (
CHEBI:85239
)
is a
monohydroxybenzoic acid (
CHEBI:25389
)
4-hydroxy-3-methylbenzoic acid (
CHEBI:85239
)
is a
toluenes (
CHEBI:27024
)
IUPAC Name
4-hydroxy-3-methylbenzoic acid
Synonyms
Sources
4,3-Cresotic acid
HMDB
4-Hydroxy-m-toluic acid
ChemIDplus
Manual Xref
Database
HMDB0004815
HMDB
View more database links
Registry Numbers
Types
Sources
2082472
Reaxys Registry Number
Reaxys
499-76-3
CAS Registry Number
NIST Chemistry WebBook
499-76-3
CAS Registry Number
ChemIDplus
Citations
Types
Sources
23736872
PubMed citation
Europe PMC
24714970
PubMed citation
Europe PMC
Last Modified
23 October 2015