| | COMPOUND: C04307 | |
Entry |
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Name |
P1,P2-Bis(5'-adenosyl) triphosphate
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Formula |
C20H27N10O16P3
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Exact mass |
756.0819
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Mol weight |
756.4071
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Structure |
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Other DBs |
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KCF data |
ATOM 49
1 N4y N 20.7329 -14.7325
2 C8y C 22.0576 -14.3340
3 C1y C 21.5118 -16.7685
4 C8x C 19.9787 -13.6410
5 C8y C 22.0759 -12.8745
6 N5x N 23.1674 -15.0513
7 O2x O 22.6216 -16.0203
8 C1y C 21.8858 -18.0561
9 N5x N 20.7820 -12.5925
10 C8y C 23.2165 -12.3656
11 C8x C 24.3509 -14.4136
12 C1y C 23.6703 -16.8542
13 C1y C 23.2165 -18.0929
14 O1a O 20.8985 -19.4788
15 N5x N 24.3693 -13.0646
16 N1a N 23.2619 -10.8448
17 C1b C 24.9517 -16.4925
18 O1a O 24.0443 -19.3255
19 O2b O 25.9085 -17.4245
20 P1b P 27.2392 -17.4184
21 O2c O 28.6250 -17.4184
22 O2c O 27.2601 -18.7429
23 O1c O 27.2392 -16.0817
24 P1b P 29.9617 -17.4245
25 P1b P 27.2601 -20.0796
26 O2b O 31.2985 -17.4307
27 O1c O 29.9617 -18.7614
28 O1c O 29.9617 -16.0940
29 O1c O 25.9294 -20.0796
30 O1c O 28.6459 -20.0796
31 O1c O 27.2601 -21.6310
32 C1b C 32.2550 -16.4985
33 C1y C 33.5366 -16.8604
34 O2x O 34.5853 -16.0264
35 C1y C 33.9904 -18.0990
36 C1y C 35.6951 -16.7745
37 C1y C 35.3272 -18.1323
38 O1a O 33.1687 -19.3315
39 N4y N 36.4740 -14.7448
40 O1a O 36.3145 -19.4910
41 C8y C 35.1284 -14.3340
42 C8x C 37.2282 -13.6472
43 C8y C 35.1678 -13.0278
44 N5x N 34.0395 -15.0576
45 N5x N 36.4310 -12.6048
46 C8y C 33.9967 -12.3716
47 C8x C 32.8315 -14.3523
48 N5x N 32.8376 -13.0707
49 N1a N 34.0087 -10.8756
BOND 54
1 1 2 1
2 3 1 1 #Down
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 #Up
14 10 15 2
15 10 16 1
16 12 17 1 #Down
17 13 18 1 #Up
18 17 19 1
19 19 20 1
20 20 21 1
21 20 22 1
22 20 23 2
23 21 24 1
24 22 25 1
25 24 26 1
26 24 27 1
27 24 28 2
28 25 29 1
29 25 30 1
30 25 31 2
31 26 32 1
32 33 32 1 #Up
33 33 34 1
34 33 35 1
35 34 36 1
36 35 37 1
37 35 38 1 #Down
38 36 39 1 #Up
39 37 40 1 #Down
40 39 41 1
41 39 42 1
42 41 43 2
43 41 44 1
44 42 45 2
45 43 46 1
46 44 47 2
47 46 48 2
48 46 49 1
49 5 9 1
50 11 15 1
51 12 13 1
52 36 37 1
53 43 45 1
54 47 48 1
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