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CHEBI:10589 - m-toluic acid

ChEBI IDCHEBI:10589
ChEBI Namem-toluic acid
Stars
ASCII Namem-toluic acid
DefinitionA methylbenzoic acid carrying a methyl substituent at position 3.
Last Modified16 July 2015
DownloadsMolfile
FormulaC8H8O2
Net Charge0
Average Mass136.150
Monoisotopic Mass136.05243
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)
InChIKeyGPSDUZXPYCFOSQ-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
3-toluic acidChemIDplus
beta-Bethylbenzoic acidKEGG COMPOUND
beta-Methylbenzoic acidChemIDplus
meta-Toluic acidChemIDplus
m-Toluic AcidKEGG COMPOUND
m-Toluylic acidKEGG COMPOUND
Manual XrefsDatabases
C07211KEGG COMPOUND
CPD-8775MetaCyc
M-Toluic_acidWikipedia
Registry NumbersSources
Reaxys:970526Reaxys
CAS:99-04-7ChemIDplus
CAS:99-04-7KEGG COMPOUND
Citations