COMPOUND: C04058
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Entry
C04058 Compound
Name
Bis(5'-adenosyl) pentaphosphate;
P1,P5-Bis(5'-adenosyl)pentaphosphate
Formula
C20H29N10O22P5
Exact mass
916.0146
Mol weight
916.37
Structure
Mol file
KCF file
DB search
Reaction
R09880
R09882
Enzyme
3.6.1.60
3.6.1.61
Other DBs
CAS:
41708-91-2
PubChem:
6757
ChEBI:
28898
PDB-CCD:
AP5
[
PDBj
]
NIKKAJI:
J278.253G
LinkDB
All DBs
KCF data
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ATOM 57
1 N4y N 14.4674 -15.5860
2 C8y C 15.7999 -15.1849
3 C1y C 15.2483 -17.6420
4 C8x C 13.7007 -14.4826
5 C8y C 15.7856 -13.8594
6 N5x N 16.9245 -15.9083
7 O2x O 16.3729 -16.8899
8 C1y C 15.6279 -18.9459
9 N5x N 14.5104 -13.4295
10 C8y C 16.9675 -13.1931
11 C8x C 18.1139 -15.2636
12 C1y C 17.4333 -17.7280
13 C1y C 16.9675 -18.9818
14 O1a O 14.6248 -20.3859
15 N5x N 18.1353 -13.9024
16 N1a N 16.9191 -11.6744
17 C1b C 18.7299 -17.3626
18 O1a O 17.8129 -20.2211
19 O2b O 19.6900 -18.3012
20 P1b P 21.0369 -18.3012
21 O2c O 22.4339 -18.3012
22 O1c O 21.0369 -16.9543
23 O1c O 21.0566 -19.6481
24 P1b P 23.7805 -18.3012
25 O2c O 25.1274 -18.3012
26 O1c O 23.7805 -16.9543
27 O1c O 23.7805 -19.6481
28 P1b P 26.4743 -18.3012
29 O2c O 27.8212 -18.3012
30 O1c O 26.4743 -16.9543
31 O1c O 26.4743 -19.6481
32 P1b P 29.1681 -18.3012
33 O2c O 30.5148 -18.3012
34 O1c O 29.1681 -16.9543
35 O1c O 29.1681 -19.6481
36 P1b P 31.8688 -18.3012
37 O2b O 33.2157 -18.3012
38 O1c O 31.8688 -16.9543
39 O1c O 31.8688 -19.6481
40 C1b C 34.1828 -17.3626
41 C1y C 35.4796 -17.7280
42 O2x O 36.5398 -16.8899
43 C1y C 35.9381 -18.9818
44 C1y C 37.6575 -17.6420
45 C1y C 37.2848 -18.9459
46 O1a O 35.0998 -20.2211
47 N4y N 38.4456 -15.5860
48 O1a O 38.2808 -20.3859
49 C8y C 37.1560 -15.1776
50 C8x C 39.2049 -14.4826
51 C8y C 37.1973 -13.8594
52 N5x N 35.9882 -15.9083
53 N5x N 38.3953 -13.4295
54 C8y C 35.9381 -13.1931
55 C8x C 34.7917 -15.2636
56 N5x N 34.7774 -13.9024
57 N1a N 35.8825 -11.6816
BOND 62
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 1
30 28 31 2
31 29 32 1
32 32 33 1
33 32 34 1
34 32 35 2
35 33 36 1
36 36 37 1
37 36 38 1
38 36 39 2
39 37 40 1
40 41 40 1 #Up
41 41 42 1
42 41 43 1
43 42 44 1
44 43 45 1
45 43 46 1 #Down
46 44 47 1 #Up
47 45 48 1 #Down
48 47 49 1
49 47 50 1
50 49 51 2
51 49 52 1
52 50 53 2
53 51 54 1
54 52 55 2
55 54 56 2
56 54 57 1
57 5 9 1
58 11 15 1
59 12 13 1
60 44 45 1
61 51 53 1
62 55 56 1
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