N-methylnicotinic acid (CHEBI:50521)

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ChEBI Name	N-methylnicotinic acid

ChEBI ID	CHEBI:50521

ChEBI ASCII Name	N-methylnicotinic acid

Definition	A pyridinium ion consisting of nicotinic acid having a methyl substituent on the pyridine nitrogen.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C7H8NO2

Net Charge

Average Mass

138.14390

Monoisotopic Mass

138.05495

InChI

InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3/p+1

InChIKey

WWNNZCOKKKDOPX-UHFFFAOYSA-O

SMILES

C[n+]1cccc(c1)C(O)=O

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology
Outgoing	N-methylnicotinic acid (CHEBI:50521) has functional parent nicotinic acid (CHEBI:15940) N-methylnicotinic acid (CHEBI:50521) has role plant metabolite (CHEBI:76924) N-methylnicotinic acid (CHEBI:50521) is a pyridinium ion (CHEBI:50334) N-methylnicotinic acid (CHEBI:50521) is conjugate acid of N-methylnicotinate (CHEBI:18123)

Incoming	N-methylnicotinate (CHEBI:18123) is conjugate base of N-methylnicotinic acid (CHEBI:50521)

IUPAC Name

3-carboxy-1-methylpyridinium

Last Modified

24 June 2014