| Entry |
|
|---|
| Name |
2-Oxohept-3-enedioate;
2-Oxohept-3-ene-1,7-dioate
|
|---|
| Formula |
C7H8O5
|
|---|
| Exact mass |
172.0372
|
|---|
| Mol weight |
172.1354
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01120 | Microbial metabolism in diverse environments |
| map01220 | Degradation of aromatic compounds |
|
|---|
| Module |
| M00533 | Homoprotocatechuate degradation, homoprotocatechuate => 2-oxohept-3-enedioate |
|
|---|
| Enzyme |
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 12
1 C2b C 26.3244 -21.7910
2 C2b C 25.1078 -21.0891
3 C5a C 26.3303 -23.1891
4 C1b C 23.8970 -21.7970
5 C6a C 27.5469 -23.8851
6 O5a O 25.1195 -23.8910
7 C1b C 22.6802 -21.1008
8 O6a O 27.5528 -25.2832
9 O6a O 28.7577 -23.1832
10 C6a C 21.4696 -21.8027
11 O6a O 20.2587 -21.1067
12 O6a O 21.4753 -23.2008
BOND 11
1 1 2 2
2 1 3 1
3 2 4 1
4 3 5 1
5 3 6 2
6 4 7 1
7 5 8 1
8 5 9 2
9 7 10 1
10 10 11 1
11 10 12 2
|
|---|
