| Entry |
|
|---|
| Name |
N-Methylnicotinate;
Trigonelline;
Trigenelline;
1-Methylpyridinio-3-carboxylate;
Betaine nicotinate;
Caffearin;
Gynesine
|
|---|
| Formula |
C7H7NO2
|
|---|
| Exact mass |
137.0477
|
|---|
| Mol weight |
137.136
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00960 | Tropane, piperidine and pyridine alkaloid biosynthesis |
|
|---|
| Enzyme |
|
|---|
| Brite |
Phytochemical compounds [BR:br08003]
Alkaloids
Alkaloids derived from nicotinic acid
Pyridine alkaloids
C01004 N-Methylnicotinate
Secondary metabolites in pathway maps [br08011.html]
Biosynthetic pathways and modules of secondary metabolites
C01004
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 10
1 C8y C 22.1415 -16.8732
2 C8x C 22.1415 -15.4640
3 C8x C 20.9181 -17.5843
4 C6a C 23.3458 -17.5650
5 N5y N 20.9181 -14.7657 #+
6 C8x C 19.7138 -16.8732
7 O6a O 23.3521 -19.2415 #-
8 O6a O 24.5501 -16.8669
9 C8x C 19.7138 -15.4640
10 C1a C 20.9116 -13.1659
BOND 10
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 2
6 4 7 1
7 4 8 2
8 5 9 2
9 5 10 1
10 6 9 1
|
|---|
