COMPOUND: C04392
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Entry
C04392 Compound
Name
P1,P4-Bis(5'-xanthosyl) tetraphosphate;
XppppX
Formula
C20H26N8O23P4
Exact mass
870.0061
Mol weight
870.36
Structure
Mol file
KCF file
DB search
Reaction
R02805
Pathway
map00230
Purine metabolism
map01100
Metabolic pathways
Enzyme
3.6.1.17
Other DBs
PubChem:
7032
ChEBI:
28400
NIKKAJI:
J2.750.452C
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KCF data
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ATOM 55
1 N4y N 15.3784 -19.5417
2 C8y C 16.6802 -19.1278
3 C1y C 16.5266 -22.4480
4 C8x C 14.5773 -18.4469
5 C8y C 16.6802 -17.7593
6 N4x N 17.8685 -19.8220
7 O2x O 17.6348 -21.6603
8 C1y C 16.9471 -23.7431
9 N5x N 15.3717 -17.3386
10 C8y C 17.8685 -17.0784
11 C8y C 19.0434 -19.1278
12 C1y C 18.7228 -22.4480
13 C1y C 18.3091 -23.7431
14 O1a O 16.1460 -24.8379
15 N4x N 19.0434 -17.7593
16 O5x O 17.8685 -15.7232
17 O5x O 20.2183 -19.8021
18 C1b C 20.0114 -22.0207
19 O1a O 19.1100 -24.8379
20 O2b O 21.0194 -22.8587
21 P1b P 22.3812 -22.9221
22 O2c O 23.7363 -22.9221
23 O1c O 22.3812 -21.5669
24 O1c O 22.3812 -24.2773
25 P1b P 25.0983 -22.9221
26 O2c O 26.4600 -22.8587
27 O1c O 25.1048 -21.5669
28 O1c O 25.0983 -24.2773
29 P1b P 27.8217 -22.9221
30 O2c O 29.1769 -22.8587
31 O1c O 27.8217 -21.5669
32 O1c O 27.8152 -24.2773
33 P1b P 30.5388 -22.9221
34 O2b O 31.9006 -22.8587
35 O1c O 30.5388 -21.5669
36 O1c O 30.5388 -24.2773
37 C1b C 32.9086 -22.0207
38 C1y C 34.1972 -22.4480
39 O2x O 35.2852 -21.6603
40 C1y C 34.6109 -23.7431
41 C1y C 36.3934 -22.4480
42 C1y C 35.9729 -23.7431
43 O1a O 33.8100 -24.8379
44 N4y N 37.5416 -19.6117
45 O1a O 36.7740 -24.8379
46 C8y C 36.2398 -19.1978
47 C8x C 38.3427 -18.5169
48 C8y C 36.2398 -17.8293
49 N4x N 35.0515 -19.8920
50 N5x N 37.5483 -17.4086
51 C8y C 35.0515 -17.1484
52 C8y C 33.8766 -19.1978
53 N4x N 33.8766 -17.8293
54 O5x O 35.0515 -15.7932
55 O5x O 32.7017 -19.8721
BOND 60
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 1
11 7 12 1
12 8 13 1
13 8 14 1 #Up
14 10 15 1
15 10 16 2
16 11 17 2
17 12 18 1 #Down
18 13 19 1 #Up
19 18 20 1
20 20 21 1
21 21 22 1
22 21 23 1
23 21 24 2
24 22 25 1
25 25 26 1
26 25 27 1
27 25 28 2
28 26 29 1
29 29 30 1
30 29 31 1
31 29 32 2
32 30 33 1
33 33 34 1
34 33 35 1
35 33 36 2
36 34 37 1
37 38 37 1 #Up
38 38 39 1
39 38 40 1
40 39 41 1
41 40 42 1
42 40 43 1 #Down
43 41 44 1 #Up
44 42 45 1 #Down
45 44 46 1
46 44 47 1
47 46 48 2
48 46 49 1
49 47 50 2
50 48 51 1
51 49 52 1
52 51 53 1
53 51 54 2
54 52 55 2
55 5 9 1
56 11 15 1
57 12 13 1
58 41 42 1
59 48 50 1
60 52 53 1
ยป Japanese version
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