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CHEBI:50521 - N-methylnicotinic acid

ChEBI IDCHEBI:50521
ChEBI NameN-methylnicotinic acid
Stars
ASCII NameN-methylnicotinic acid
DefinitionA pyridinium ion consisting of nicotinic acid having a methyl substituent on the pyridine nitrogen.
Last Modified24 June 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC7H8NO2
Net Charge+1
Average Mass138.146
Monoisotopic Mass138.05495
SMILESC[n+]1cccc(C(=O)O)c1
InChIInChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3/p+1
InChIKeyWWNNZCOKKKDOPX-UHFFFAOYSA-O
Roles Classification
Biological Role:
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 Relation(s)
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 Relation(s)
N-methylnicotinate (CHEBI:18123) is conjugate base of N-methylnicotinic acid (CHEBI:50521)
IUPAC Name 
3-carboxy-1-methylpyridinium
Manual XrefsDatabases
HMDB0000875HMDB
Registry NumbersSources
Reaxys:3904771Reaxys