m-toluic acid (CHEBI:10589)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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.

Supplier Information

Download	Molfile XML SDF

more structures >>

Wikipedia	License

Read full article at Wikipedia

Formula

C8H8O2

Net Charge

Average Mass

136.14790

Monoisotopic Mass

136.05243

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.

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

Last Modified

16 July 2015