| Entry |
|
|---|
| Name |
o-Toluate;
o-Methylbenzoate;
o-Toluic Acid;
2-Methylbenzoic 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: 118-90-1 PubChem: ChEBI: ChEMBL: PDB-CCD: 3DMET: NIKKAJI: |
|---|
| KCF data |
ATOM 10
1 C8y C 28.2500 -16.5891
2 C8y C 29.4557 -17.2914
3 C8x C 27.0328 -17.2914
4 C6a C 28.2500 -15.1903
5 C8x C 29.4557 -18.6900
6 C1a C 30.6729 -16.5891
7 C8x C 27.0328 -18.6900
8 O6a O 27.0386 -14.4882
9 O6a O 29.4615 -14.4940
10 C8x C 28.2500 -19.3923
BOND 10
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 4 8 1
8 4 9 2
9 5 10 2
10 7 10 1
|
|---|
