Trigonelline
Trigonelline - definition from Biology-Online.org
[N-methylnicotinic acid;the methyl betaine of nicotinic acid; a product of the metabolism of nicotinic acid; excreted in the urine. Synonym: caffearine, trigenolline.
Molecular Formula:
C
7
H
7
NO
2
InChI:
InChI=1/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3
InChIKey:
InChIKey=WWNNZCOKKKDOPX-UHFFFAOYAV
SMILES:
C[n+]1cccc(c1)C([O-])=O
CAS number 535-83-1
Names:
Betaine nicotinate
Caffearin
Gynesine
N-Methylnicotinate
N-methylnicotinate
N-Methylnicotinate
N-methylnicotinate
Pyridinium, 3-carboxy-1-methyl-, hydroxide, inner salt
Trigenelline
Trigonelline
1-methylnicotinate
1-methylpyridine-5-carboxylate
1-Methylpyridinio-3-carboxylate
Registries:
PubChem CID 5570
CAS 535-83-1 (from NIST)
ChEBI 18123
Kegg C01004
PubChem ID 10525847
PubChem ID 4250