| Entry |
|
|---|
| Name |
Toluate;
p-Toluate;
p-Toluic acid;
4-Methylbenzoic acid;
Toluenecarboxylic acid;
Crithminic acid
|
|---|
| Formula |
C8H8O2
|
|---|
| Exact mass |
136.0524
|
|---|
| Mol weight |
136.15
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01120 | Microbial metabolism in diverse environments |
| map01220 | Degradation of aromatic compounds |
|
|---|
| Module |
| M00537 | Xylene degradation, xylene => methylbenzoate |
| M00551 | Benzoate degradation, benzoate => catechol / methylbenzoate => methylcatechol |
|
|---|
| Enzyme |
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 10
1 C8y C 28.2343 -16.9405
2 C6a C 27.0170 -16.2533
3 C8x C 28.2401 -18.3441
4 C8x C 29.4340 -16.2416
5 O6a O 25.8055 -16.9579
6 O6a O 27.0111 -14.8497
7 C8x C 29.4516 -19.0431
8 C8x C 30.6513 -16.9289
9 C8y C 30.6630 -18.3267
10 C1a C 31.8862 -19.0140
BOND 10
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 2
7 4 8 1
8 7 9 1
9 9 10 1
10 8 9 2
|
|---|
