| Entry |
|
|---|
| Name |
Phthalate;
o-Phthalic acid;
1,2-Benzenedicarboxylic acid
|
|---|
| Formula |
C8H6O4
|
|---|
| Exact mass |
166.0266
|
|---|
| Mol weight |
166.13
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00624 | Polycyclic aromatic hydrocarbon degradation |
| map01120 | Microbial metabolism in diverse environments |
| map01220 | Degradation of aromatic compounds |
|
|---|
| Module |
| M00623 | Phthalate degradation, phthalate => protocatechuate |
| M00636 | Phthalate degradation, phthalate => protocatechuate |
|
|---|
| Enzyme |
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 12
1 C8y C 28.8452 -17.6422
2 C8y C 28.8452 -16.2378
3 C8x C 27.6398 -18.3385
4 C6a C 30.0625 -18.3385
5 C8x C 27.6398 -15.5415
6 C6a C 30.0625 -15.5415
7 C8x C 26.4225 -17.6422
8 O6a O 31.2736 -17.6363
9 O6a O 30.0625 -19.7372
10 C8x C 26.4225 -16.2378
11 O6a O 31.2736 -16.2437
12 O6a O 30.0625 -14.1428
BOND 12
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 4 8 1
8 4 9 2
9 5 10 1
10 6 11 1
11 6 12 2
12 7 10 2
|
|---|
