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CHEBI:28795 - m-toluate

ChEBI IDCHEBI:28795
ChEBI Namem-toluate
Stars
ASCII Namem-toluate
DefinitionA toluate that is the conjugate base of m-toluic acid.
Secondary ChEBI IDsCHEBI:20204, CHEBI:20205
Last Modified30 May 2024
DownloadsMolfile
FormulaC8H7O2
Net Charge-1
Average Mass135.142
Monoisotopic Mass135.04515
SMILESCc1cccc(C(=O)[O-])c1
InChIInChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)/p-1
InChIKeyGPSDUZXPYCFOSQ-UHFFFAOYSA-M
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
m-toluic acid (CHEBI:10589) is conjugate acid of m-toluate (CHEBI:28795)
IUPAC Name 
3-methylbenzoate
Synonyms  Source
3-toluateChEBI
beta-bethylbenzoateChEBI
m-MethylbenzoateKEGG COMPOUND
m-MethylbenzoateUM-BBD
UniProt Name  Source
3-methylbenzoateUniProt
Manual XrefsDatabases
c0243UM-BBD
C07211KEGG COMPOUND
CPD-8775MetaCyc
Registry NumbersSources
Beilstein:3904551Beilstein