| Entry |
|
|---|
| Name |
1,7-Dimethylxanthine;
Paraxanthine
|
|---|
| Formula |
C7H8N4O2
|
|---|
| Exact mass |
180.0647
|
|---|
| Mol weight |
180.16
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01060 | Biosynthesis of plant secondary metabolites |
| map01110 | Biosynthesis of secondary metabolites |
| map01120 | Microbial metabolism in diverse environments |
|
|---|
| Module |
| M00915 | Caffeine degradation, caffeine => xanthine |
|
|---|
| Enzyme |
|
|---|
| Brite |
Phytochemical compounds [BR:br08003]
Alkaloids
Others
Purine alkaloids
C13747 1,7-Dimethylxanthine
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 13
1 C8y C 25.9535 -17.7237
2 C8y C 25.9535 -19.1518
3 C8y C 27.1591 -17.0157
4 N4y N 24.6485 -17.2906
5 N4x N 27.1591 -19.8362
6 N5x N 24.6485 -19.5847
7 N4y N 28.3822 -17.7531
8 O5x O 27.1591 -15.6346
9 C8x C 23.8294 -18.4494
10 C8y C 28.3822 -19.0992
11 C1a C 29.6346 -17.0741
12 O5x O 29.6346 -19.8012
13 C1a C 24.2194 -15.9845
BOND 14
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 1
9 5 10 1
10 7 11 1
11 10 12 2
12 6 9 2
13 7 10 1
14 4 13 1
|
|---|
