CHEBI:10589 - m-toluic acid

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ChEBI Name m-toluic acid
ChEBI ID CHEBI:10589
ChEBI ASCII Name m-toluic acid
Definition A methylbenzoic acid carrying a methyl substituent at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C8H8O2
Net Charge 0
Average Mass 136.14790
Monoisotopic Mass 136.052
InChI InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey GPSDUZXPYCFOSQ-UHFFFAOYSA-N
SMILES Cc1cccc(c1)C(O)=O
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 m-toluic acid (CHEBI:10589) has role human xenobiotic metabolite (CHEBI:76967)
m-toluic acid (CHEBI:10589) is a methylbenzoic acid (CHEBI:25280)
m-toluic acid (CHEBI:10589) is conjugate acid of m-toluate (CHEBI:28795)
Incoming N,N-diethyl-m-toluamide (CHEBI:7071) has functional parent m-toluic acid (CHEBI:10589)
m-toluate (CHEBI:28795) is conjugate base of m-toluic acid (CHEBI:10589)
IUPAC Name
3-methylbenzoic acid
Synonyms Sources
3-toluic acid ChemIDplus
beta-Bethylbenzoic acid KEGG COMPOUND
beta-Methylbenzoic acid ChemIDplus
m-Toluic Acid KEGG COMPOUND
m-Toluylic acid KEGG COMPOUND
meta-Toluic acid ChemIDplus
Database Links Databases
C07211 KEGG COMPOUND
CPD-8775 MetaCyc
M-Toluic_acid Wikipedia
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Registry Numbers Types Sources
970526 Reaxys Registry Number Reaxys
970526 Beilstein Registry Number Beilstein
99-04-7 CAS Registry Number KEGG COMPOUND
99-04-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
16 July 2015