| | COMPOUND: C04030 | |
Entry |
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Name |
(2,3-Dihydroxybenzoyl)adenylate
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Formula |
C17H18N5O10P
|
Exact mass |
483.0791
|
Mol weight |
483.3261
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Structure |
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Reaction |
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Enzyme |
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Other DBs |
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KCF data |
ATOM 33
1 N4y N 30.8684 -14.5450
2 C8y C 31.9424 -15.2863
3 C1y C 29.5839 -14.9652
4 C8x C 31.3529 -13.1438
5 C8y C 33.1802 -14.3756
6 N5x N 32.0768 -16.7108
7 O2x O 28.4397 -14.1070
8 C1y C 29.1520 -16.2204
9 N5x N 32.8065 -13.1496
10 C8y C 34.4411 -14.9301
11 C8x C 33.4079 -17.3003
12 C1y C 27.3305 -14.9067
13 C1y C 27.7625 -16.2204
14 O1a O 29.8116 -17.3587
15 N5x N 34.6047 -16.4247
16 N1a N 35.5504 -14.1012
17 C1b C 26.0052 -14.4749
18 O1a O 27.3130 -17.5456
19 O2b O 24.9660 -15.4030
20 P1b P 23.5651 -15.4030
21 O7a O 22.1697 -15.4030
22 O1c O 23.5591 -16.8041
23 O1c O 23.5591 -14.0078
24 C7a C 20.9612 -14.7026
25 C8y C 19.7527 -15.3972
26 O6a O 20.9612 -13.3072
27 C8y C 19.7527 -16.7924
28 C8x C 18.5443 -14.7026
29 C8y C 18.5443 -17.4930
30 C8x C 17.3301 -15.3972
31 C8x C 17.3301 -16.7924
32 O1a O 20.9629 -17.4896
33 O1a O 18.5456 -18.8897
BOND 36
1 3 1 1 #Up
2 1 4 1
3 2 5 2
4 2 6 1
5 3 7 1
6 3 8 1
7 4 9 2
8 5 10 1
9 6 11 2
10 7 12 1
11 8 13 1
12 8 14 1 #Down
13 10 15 2
14 10 16 1
15 12 17 1 #Up
16 13 18 1 #Down
17 17 19 1
18 19 20 1
19 20 21 1
20 20 22 1
21 20 23 2
22 21 24 1
23 24 25 1
24 24 26 2
25 25 27 1
26 25 28 2
27 27 29 2
28 28 30 1
29 29 31 1
30 5 9 1
31 11 15 1
32 12 13 1
33 30 31 2
34 27 32 1
35 1 2 1
36 29 33 1
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