| Entry |
|
|---|
| Name |
trans-Aconitate;
trans-Aconitic acid
|
|---|
| Formula |
C6H6O6
|
|---|
| Exact mass |
174.0164
|
|---|
| Mol weight |
174.11
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00660 | C5-Branched dibasic acid metabolism |
|
|---|
| Enzyme |
|
|---|
| Brite |
Compounds with biological roles [BR:br08001]
Organic acids
Carboxylic acids
Tricarboxylic acids
C02341 trans-Aconitate
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 12
1 C2c C 18.3678 -14.9498
2 C1b C 19.5666 -15.6410
3 C2b C 18.3678 -13.5669
4 C6a C 17.1753 -15.6410
5 C6a C 19.5666 -17.0864
6 C6a C 19.5666 -12.8819
7 O6a O 15.9139 -14.9433
8 O6a O 17.1816 -16.9484
9 O6a O 18.5748 -17.9784
10 O6a O 20.7591 -18.0474
11 O6a O 20.8971 -13.5733
12 O6a O 19.6291 -11.5683
BOND 11
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 4 8 2
8 5 9 1
9 5 10 2
10 6 11 1
11 6 12 2
|
|---|
