COMPOUND: C20190
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Entry
C20190 Compound
Name
P1,P6-Bis(5'-adenosyl)hexaphosphate
Formula
C20H30N10O25P6
Exact mass
995.9809
Mol weight
996.35
Structure
Mol file
KCF file
DB search
Reaction
R09879
R09881
Enzyme
3.6.1.60
3.6.1.61
Other DBs
CAS:
56983-23-4
PubChem:
163311933
PDB-CCD:
B6P
[
PDBj
]
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KCF data
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ATOM 61
1 N4y N 16.4609 -17.2058
2 C8y C 17.8123 -16.7983
3 C1y C 17.2561 -19.2813
4 C8x C 15.6916 -16.0872
5 C8y C 17.7927 -15.4601
6 N5x N 18.9436 -17.5291
7 O2x O 18.3876 -18.5184
8 C1y C 17.6311 -20.5937
9 N5x N 16.5125 -15.0269
10 C8y C 18.9887 -14.7943
11 C8x C 20.1462 -16.8826
12 C1y C 19.4543 -19.3653
13 C1y C 18.9953 -20.5626
14 O1a O 16.6997 -21.9712
15 N5x N 20.1655 -15.5055
16 N1a N 18.9446 -13.5452
17 C1b C 20.7667 -18.9968
18 O1a O 19.8359 -21.8804
19 O2b O 21.7366 -19.9472
20 P1b P 23.0944 -19.9406
21 O2c O 24.5103 -19.9406
22 O1c O 23.0944 -18.5830
23 O1c O 23.1134 -21.2984
24 P1b P 25.8680 -19.9406
25 O2c O 27.2256 -19.9406
26 O1c O 25.8680 -18.5830
27 O1c O 25.8680 -21.2984
28 P1b P 28.5834 -19.9406
29 O1c O 28.5834 -18.5830
30 O1c O 28.5834 -21.2984
31 O2c O 29.9834 -19.9406
32 P1b P 31.3834 -19.9406
33 O1c O 31.3834 -18.5406
34 O1c O 31.3834 -21.3406
35 O2c O 32.7834 -19.9406
36 P1b P 34.1834 -19.9406
37 O1c O 34.1834 -18.5406
38 O1c O 34.1834 -21.3406
39 O2c O 35.5834 -19.9406
40 P1b P 37.0452 -19.9406
41 O2b O 38.4095 -19.9472
42 O1c O 37.0452 -18.5830
43 O1c O 37.0452 -21.2984
44 C1b C 39.3792 -18.9968
45 C1y C 40.6918 -19.3653
46 O2x O 41.7585 -18.5184
47 C1y C 41.1509 -20.6326
48 C1y C 42.8899 -19.2813
49 C1y C 42.5084 -20.6637
50 O1a O 40.3103 -21.8095
51 N4y N 43.6852 -17.2058
52 O1a O 43.5170 -21.7588
53 C8y C 42.3790 -16.7920
54 C8x C 44.4481 -16.0872
55 C8y C 42.3531 -15.4601
56 N5x N 41.2024 -17.5291
57 N5x N 43.6334 -15.0269
58 C8y C 41.1572 -14.7943
59 C8x C 40.0000 -16.8826
60 N5x N 39.9805 -15.5055
61 N1a N 41.1313 -13.5452
BOND 66
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 24 25 1
25 24 26 1
26 24 27 2
27 25 28 1
28 28 29 1
29 28 30 2
30 5 9 1
31 11 15 1
32 12 13 1
33 28 31 1
34 31 32 1
35 32 33 1
36 32 34 2
37 32 35 1
38 35 36 1
39 36 37 1
40 36 38 2
41 36 39 1
42 40 41 1
43 40 42 1
44 40 43 2
45 41 44 1
46 45 44 1 #Up
47 45 46 1
48 45 47 1
49 46 48 1
50 47 49 1
51 47 50 1 #Down
52 48 51 1 #Up
53 49 52 1 #Down
54 51 53 1
55 51 54 1
56 53 55 2
57 53 56 1
58 54 57 2
59 55 58 1
60 56 59 2
61 58 60 2
62 58 61 1
63 48 49 1
64 55 57 1
65 59 60 1
66 39 40 1
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