Substance
ID:1821022
Names and Identifiers
IUPAC name
1-methylpyridin-1-ium-3-carboxylate
IUPAC Traditional name
trigonelline
Synonyms
N-methylnicotinate1-Methyl-3-pyridiniumcarboxylate1-Methylpyridinio-3-carboxylate1-methylnicotinate3-Carboxy-1-methylpyridinium hydroxide inner saltBetain nicotinateBetaine nicotinateCaffearinCaffearineCoffearinGynesineN'-MethylnicotinateN-MethylnicotinateN-methyl-nicotinateN-methylnicotinateNicotinic acid N-methylbetaineTrigenellineTrigonellinTrigonelline
Registration numbers
PubChem CID
CAS Number
KEGG ID
KNApSAcK Database
MetaCyc Database
Reaxys Registry
ACToR Database
CHEMBL
CompTox Database
MetaboLights Database
MTBLS56MTBLS4820MTBLS531MTBLS650MTBLS630MTBLS656MTBLS633MTBLS2824MTBLS4012MTBLS816MTBLS841MTBLS93MTBLS916MTBLS703MTBLS787MTBLS675MTBLS804MTBLS881MTBLS2295MTBLS1693MTBLS2406MTBLS292MTBLS286MTBLS290MTBLS1MTBLS1040MTBLS116MTBLS135MTBLS2550MTBLS2424MTBLS149MTBLS1497MTBLS161MTBLS1622MTBLS1714MTBLS181MTBLS180MTBLS2081MTBLS20MTBLS3540MTBLS340MTBLS346MTBLS3487MTBLS1677MTBLS3657MTBLS3927MTBLS432MTBLS3750MTBLS38MTBLS3943MTBLS2105MTBLS2145MTBLS189MTBLS1906MTBLS2772MTBLS2776
SureChEMBL Database
IntEnz Database
Rhea Database
Beilstein Number
HMDB Database
GeneOntology Database
PubChem SID
Properties
No Data Available
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Molecule Details
An iminium betaine that is the conjugate base of N-methylnicotinic acid, arising from deprotonation of the carboxy group.
Molecular Spectra
No Data Available
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References
No Data Available
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