| Entry |
|
|---|
| Name |
m-Methylbenzoate;
m-Toluic Acid;
beta-Bethylbenzoic acid;
m-Toluylic acid
|
|---|
| Formula |
C8H8O2
|
|---|
| Exact mass |
136.0524
|
|---|
| Mol weight |
136.1479
|
|---|
| Structure |
     |
|---|
| Reaction |
|
|---|
| Pathway |
| Xylene degradation | | Metabolic pathways | | Microbial metabolism in diverse environments | | Degradation of aromatic compounds |
|
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| Module |
| Xylene degradation, xylene => methylbenzoate | | Benzoate degradation, benzoate => catechol / methylbenzoate => methylcatechol |
|
|---|
| Enzyme |
|
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| Other DBs |
CAS: 99-04-7 PubChem: ChEBI: ChEMBL: 3DMET: NIKKAJI: |
|---|
| KCF data |
ATOM 10
1 C8y C 28.2499 -16.5880
2 C8x C 29.4560 -17.2906
3 C8x C 27.0323 -17.2906
4 C6a C 28.2499 -15.1887
5 C8y C 29.4560 -18.6897
6 C8x C 27.0323 -18.6897
7 O6a O 27.0381 -14.4862
8 O6a O 29.4618 -14.4922
9 C8x C 28.2499 -19.3922
10 C1a C 30.6679 -19.3922
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
|
|---|
