| Entry |
|
|---|
| Name |
cis-Aconitate;
cis-Aconitic acid
|
|---|
| Formula |
C6H6O6
|
|---|
| Exact mass |
174.0164
|
|---|
| Mol weight |
174.11
|
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| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00630 | Glyoxylate and dicarboxylate metabolism |
| map00660 | C5-Branched dibasic acid metabolism |
| map01060 | Biosynthesis of plant secondary metabolites |
| map01061 | Biosynthesis of phenylpropanoids |
| map01062 | Biosynthesis of terpenoids and steroids |
| map01063 | Biosynthesis of alkaloids derived from shikimate pathway |
| map01064 | Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid |
| map01065 | Biosynthesis of alkaloids derived from histidine and purine |
| map01066 | Biosynthesis of alkaloids derived from terpenoid and polyketide |
| map01110 | Biosynthesis of secondary metabolites |
| map01120 | Microbial metabolism in diverse environments |
| map01210 | 2-Oxocarboxylic acid metabolism |
|
|---|
| Module |
| M00173 | Reductive citrate cycle (Arnon-Buchanan cycle) |
|
|---|
| Enzyme |
|
|---|
| Brite |
Compounds with biological roles [BR:br08001]
Organic acids
Carboxylic acids
Tricarboxylic acids
C00417 cis-Aconitate
|
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| Other DBs |
|
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| KCF data |
ATOM 12
1 C2c C 22.5011 -16.1837
2 C1b C 23.2152 -14.9453
3 C2b C 21.0791 -16.1837
4 C6a C 23.2152 -17.4157
5 C6a C 24.6372 -14.9453
6 C6a C 20.3647 -17.4157
7 O6a O 22.8549 -18.7854
8 O6a O 24.6372 -17.4090
9 O6a O 25.3449 -16.2537
10 O6a O 25.2815 -13.8533
11 O6a O 18.9363 -17.4090
12 O6a O 20.8562 -18.7570
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
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