| Entry |
|
|---|
| Name |
2-Oxosuberate;
2-Oxooctanedionic acid;
alpha-Ketosuberate
|
|---|
| Formula |
C8H12O5
|
|---|
| Exact mass |
188.0685
|
|---|
| Mol weight |
188.1779
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01120 | Microbial metabolism in diverse environments |
| map01210 | 2-Oxocarboxylic acid metabolism |
|
|---|
| Module |
| M00608 | 2-Oxocarboxylic acid chain extension, 2-oxoglutarate => 2-oxoadipate => 2-oxopimelate => 2-oxosuberate |
|
|---|
| Enzyme |
1.1.1.-
|
|---|
| Brite |
Compounds with biological roles [BR:br08001]
Organic acids
Carboxylic acids
2-Oxocarboxylic acids
C16589 2-Oxosuberate
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 13
1 C1b C 32.9000 -21.0700
2 C5a C 34.1600 -21.7700
3 C1b C 31.7100 -21.7700
4 C6a C 35.3500 -21.0700
5 O5a O 34.1600 -23.1700
6 C1b C 30.4500 -21.0700
7 O6a O 36.6100 -21.7700
8 O6a O 35.3500 -19.7400
9 C1b C 29.2600 -21.7700
10 C1b C 28.0000 -21.0000
11 C6a C 26.8100 -21.7000
12 O6a O 25.5500 -21.0000
13 O6a O 26.8100 -23.1000
BOND 12
1 1 2 1
2 1 3 1
3 2 4 1
4 2 5 2
5 3 6 1
6 4 7 1
7 4 8 2
8 6 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 11 13 2
|
|---|
