| Entry |
|
|---|
| Name |
3-Dehydroquinate;
3-Dehydroquinic acid;
5-Dehydroquinate;
5-Dehydroquinic acid
|
|---|
| Formula |
C7H10O6
|
|---|
| Exact mass |
190.0477
|
|---|
| Mol weight |
190.1507
|
|---|
| Structure |
|
|---|
| Comment |
formerly called "5-Dehydroquinate" on old nomenclature system of numbering
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00400 | Phenylalanine, tyrosine and tryptophan biosynthesis |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Module |
| M00022 | Shikimate pathway, phosphoenolpyruvate + erythrose-4P => chorismate |
|
|---|
| Enzyme |
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 13
1 C1z C 22.7778 -17.0108
2 C6a C 24.0782 -17.4380
3 C1x C 21.5779 -17.7144
4 C1x C 22.7778 -15.6352
5 O1a O 22.7339 -18.8148
6 O6a O 24.9147 -18.9161
7 O6a O 25.0896 -16.5210
8 C1y C 20.3969 -17.0172
9 C5x C 21.5717 -14.9566
10 C1y C 20.3969 -15.6352
11 O1a O 19.2096 -17.8293
12 O5x O 21.5717 -13.8671
13 O1a O 19.2096 -14.9504
BOND 13
1 1 2 1 #Up
2 1 3 1
3 1 4 1
4 1 5 1 #Down
5 2 6 1
6 2 7 2
7 3 8 1
8 4 9 1
9 8 10 1
10 8 11 1 #Up
11 9 12 2
12 10 13 1 #Down
13 9 10 1
|
|---|
