| Entry |
|
|---|
| Name |
(3,4-Dihydroxybenzoyl)adenylate
|
|---|
| Formula |
C17H18N5O10P
|
|---|
| Exact mass |
483.0791
|
|---|
| Mol weight |
483.33
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00975 | Biosynthesis of various siderophores |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Module |
| M01060 | Petrobactin biosynthesis, spermidine => petrobactin |
|
|---|
| Enzyme |
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 33
1 N4y N 26.8560 -15.2368
2 C8y C 27.9290 -15.9775
3 C1y C 25.5731 -15.6567
4 C8x C 27.3400 -13.8372
5 C8y C 29.1653 -15.0676
6 N5x N 28.0631 -17.4002
7 O2x O 24.4301 -14.7994
8 C1y C 25.1415 -16.9105
9 N5x N 28.7922 -13.8431
10 C8y C 30.4250 -15.6217
11 C8x C 29.3927 -17.9892
12 C1y C 23.3222 -15.5983
13 C1y C 23.7536 -16.9105
14 O1a O 25.8006 -18.0476
15 N5x N 30.5882 -17.1146
16 N1a N 31.5328 -14.7937
17 C1b C 21.9984 -15.1669
18 O1a O 23.3046 -18.2343
19 O2b O 20.9604 -16.0940
20 P1b P 19.5608 -16.0940
21 O1c O 19.5551 -17.4936
22 O7a O 18.1672 -16.0940
23 O1c O 19.5551 -14.7003
24 C7a C 16.9548 -15.3940
25 C8y C 15.7287 -16.1020
26 C8x C 14.5315 -15.4106
27 C8x C 13.3190 -16.1105
28 C8y C 13.3189 -17.5105
29 C8y C 14.5161 -18.2018
30 C8x C 15.7286 -17.5020
31 O1a O 14.5159 -19.5998
32 O1a O 12.0969 -18.2160
33 O6a O 16.9547 -14.0001
BOND 36
1 1 2 1
2 3 1 1 #Up
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 6 11 2
11 7 12 1
12 8 13 1
13 8 14 1 #Down
14 10 15 2
15 10 16 1
16 12 17 1 #Up
17 13 18 1 #Down
18 17 19 1
19 19 20 1
20 20 21 1
21 20 22 1
22 20 23 2
23 5 9 1
24 11 15 1
25 12 13 1
26 22 24 1
27 24 25 1
28 25 26 2
29 26 27 1
30 27 28 2
31 28 29 1
32 29 30 2
33 25 30 1
34 29 31 1
35 28 32 1
36 24 33 2
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|---|
