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CHEBI:28872 - o-toluate

ChEBI IDCHEBI:28872
ChEBI Nameo-toluate
Stars
ASCII Nameo-toluate
DefinitionA toluate that is the conjugate base of o-toluic acid.
Secondary ChEBI IDCHEBI:19781
Last Modified1 September 2014
DownloadsMolfile
FormulaC8H7O2
Net Charge-1
Average Mass135.142
Monoisotopic Mass135.04515
SMILESCc1ccccc1C(=O)[O-]
InChIInChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10)/p-1
InChIKeyZWLPBLYKEWSWPD-UHFFFAOYSA-M
Roles Classification
Biological Role:
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
ChEBI Ontology
Outgoing Relation(s)
o-toluate (CHEBI:28872) has role xenobiotic metabolite (CHEBI:76206)
o-toluate (CHEBI:28872) is a toluate (CHEBI:27021)
o-toluate (CHEBI:28872) is conjugate base of o-toluic acid (CHEBI:36632)
Incoming Relation(s)
2-methylbenzoyl-AMP(1−) (CHEBI:188503) has functional parent o-toluate (CHEBI:28872)
2-methylbenzoyl-CoA(4−) (CHEBI:188502) is a o-toluate (CHEBI:28872)
o-toluic acid (CHEBI:36632) is conjugate acid of o-toluate (CHEBI:28872)
IUPAC Name 
2-methylbenzoate
Synonyms  Source
2-toluateChEBI
o-MethylbenzoateKEGG COMPOUND
o-ToluateKEGG COMPOUND
o-MethylbenzoateUM-BBD
Manual XrefsDatabases
C07215KEGG COMPOUND
c0251UM-BBD
Registry NumbersSources
Reaxys:1866622Reaxys