CHEBI:28795 - m-toluate

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ChEBI Name m-toluate
ChEBI ID CHEBI:28795
ChEBI ASCII Name m-toluate
Definition A toluate that is the conjugate base of m-toluic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:20204, CHEBI:20205
Supplier Information
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Formula C8H7O2
Net Charge -1
Average Mass 135.14050
Monoisotopic Mass 135.04515
InChI InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)/p-1
InChIKey GPSDUZXPYCFOSQ-UHFFFAOYSA-M
SMILES Cc1cccc(c1)C([O-])=O
Roles Classification
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-toluate (CHEBI:28795) has role human xenobiotic metabolite (CHEBI:76967)
m-toluate (CHEBI:28795) is a toluate (CHEBI:27021)
m-toluate (CHEBI:28795) is conjugate base of m-toluic acid (CHEBI:10589)
Incoming m-toluic acid (CHEBI:10589) is conjugate acid of m-toluate (CHEBI:28795)
IUPAC Name
3-methylbenzoate
Synonyms Sources
3-toluate ChEBI
beta-bethylbenzoate ChEBI
m-Methylbenzoate UM-BBD
m-Methylbenzoate KEGG COMPOUND
Manual Xrefs Databases
c0243 UM-BBD
C07211 KEGG COMPOUND
CPD-8775 MetaCyc
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Registry Number Type Source
3904551 Beilstein Registry Number Beilstein
Last Modified
01 September 2014