COMPOUND: C20862
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Entry
C20862 Compound
Name
5'-(N7-Methyl 5'-triphosphoguanosine)-(2'-O-methyl-purine-ribonucleotide)-(2'-O-methyl-ribonucleotide)-[mRNA]
Formula
C28H46N5O29P5R2(R1)(C5H8O6PR)n
Structure
Mol file
KCF file
DB search
Comment
Generic compound in reaction hierarchy
R1 = adenine base or guanine base
Reaction
R10812
Enzyme
2.1.1.296
Other DBs
PubChem:
254741328
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KCF data
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ATOM 83
1 P1b P 26.8800 -25.2000
2 O2b O 29.4700 -25.2000
3 O1c O 26.8800 -26.4600
4 O1c O 25.5500 -25.2000
5 C1b C 30.8700 -25.2000
6 C1y C 31.7800 -26.5300
7 C1y C 32.2000 -27.7200
8 O2x O 32.8300 -25.7600
9 C1y C 33.5300 -27.7200
10 O1a O 31.2900 -29.1200
11 C1y C 33.8800 -26.5300
12 O1a O 34.3000 -28.7700
13 R R 35.1400 -26.1100
14 C1y C 23.3800 -16.8000
15 C1y C 22.9600 -15.5400
16 C1y C 24.7100 -16.8000
17 O2b O 22.4700 -18.4800
18 O2x O 24.0100 -14.8400
19 C1b C 22.3300 -14.2800
20 C1y C 25.0600 -15.6100
21 O2a O 25.4800 -17.8500
22 P1b P 22.4700 -19.8100
23 O2b O 21.0000 -14.2800
24 R R 26.3200 -15.1900
25 O2b O 25.0600 -19.8100
26 O1c O 22.4700 -21.0700
27 O1c O 21.1400 -19.8100
28 P1b P 19.5300 -14.2800
29 C1b C 26.4600 -19.8100
30 O2b O 19.5300 -12.9500
31 O1c O 19.5300 -15.5400
32 O1c O 18.2000 -14.2800
33 C1y C 27.3700 -21.1400
34 C1y C 19.5300 -11.6900
35 C1y C 27.7900 -22.3300
36 O2x O 28.4200 -20.3700
37 C1y C 19.1100 -10.4300
38 C1y C 20.8600 -11.6900
39 C1y C 29.1200 -22.3300
40 O2b O 26.8800 -23.7300
41 C1y C 29.4700 -21.1400
42 O2x O 20.1600 -9.6600
43 C1b C 18.4800 -9.1700
44 C1y C 21.2100 -10.4300
45 O2a O 21.6300 -12.7400
46 O1a O 29.8900 -23.3800
47 R R 30.7300 -20.7200
48 O2b O 17.2200 -9.1700
49 Z R# 22.4700 -10.0800
50 P1b P 15.8200 -9.1700
51 O1c O 15.8200 -7.7700
52 O1c O 15.8200 -10.5700
53 O2c O 14.4200 -9.1700
54 P1b P 13.0200 -9.1700
55 O2c O 11.6200 -9.1700
56 O1c O 13.0200 -7.7700
57 O1c O 13.0200 -10.5700
58 P1b P 10.2200 -9.1700
59 O2b O 8.8200 -9.1700
60 O1c O 10.2200 -7.7700
61 O1c O 10.2200 -10.5700
62 C1b C 7.5600 -8.4700
63 C1y C 6.3700 -9.1700
64 C1y C 4.2700 -9.1700
65 C1y C 4.6900 -10.3600
66 O2x O 5.3200 -8.4000
67 C1y C 6.0200 -10.3600
68 O1a O 3.9900 -11.5500
69 O1a O 7.0000 -11.3400
70 N4y N 3.0100 -7.2100
71 C8y C 4.3400 -5.3900
72 C8y C 4.3400 -6.7900
73 N5x N 5.5300 -7.4900
74 C8y C 6.7900 -6.7900
75 N4x N 6.7900 -5.3900
76 C8y C 5.5300 -4.6900
77 N5y N 3.0100 -4.9700 #+
78 C8x C 2.1700 -6.0900
79 N1a N 7.9800 -7.4900
80 O5x O 5.5300 -3.2900
81 C1a C 2.3100 -3.7800
82 C1a C 23.0300 -12.7400
83 C1a C 26.8800 -17.8500
BOND 89
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 6 5 1 #Up
6 6 7 1
7 6 8 1
8 7 9 1
9 7 10 1 #Down
10 8 11 1
11 9 12 1 #Down
12 11 13 1 #Up
13 9 11 1
14 14 15 1
15 14 16 1
16 14 17 1 #Down
17 15 18 1
18 15 19 1 #Up
19 16 20 1
20 16 21 1 #Down
21 17 22 1
22 19 23 1
23 20 24 1 #Up
24 22 25 1
25 22 26 1
26 22 27 2
27 23 28 1
28 25 29 1
29 28 30 1
30 28 31 1
31 28 32 2
32 33 29 1 #Up
33 34 30 1 #Down
34 33 35 1
35 33 36 1
36 34 37 1
37 34 38 1
38 35 39 1
39 35 40 1 #Down
40 36 41 1
41 37 42 1
42 37 43 1 #Up
43 38 44 1
44 38 45 1 #Down
45 39 46 1 #Down
46 41 47 1 #Up
47 43 48 1
48 44 49 1 #Up
49 18 20 1
50 39 41 1
51 42 44 1
52 48 50 1
53 50 51 2
54 50 52 1
55 50 53 1
56 53 54 1
57 54 55 1
58 54 56 2
59 54 57 1
60 55 58 1
61 58 59 1
62 58 60 2
63 58 61 1
64 59 62 1
65 63 62 1 #Down
66 64 65 1
67 64 66 1
68 65 67 1
69 66 63 1
70 67 63 1
71 65 68 1 #Up
72 67 69 1 #Up
73 64 70 1 #Down
74 71 72 2
75 72 73 1
76 73 74 2
77 74 75 1
78 75 76 1
79 71 76 1
80 71 77 1
81 77 78 2
82 78 70 1
83 72 70 1
84 74 79 1
85 76 80 2
86 77 81 1
87 45 82 1
88 1 40 1
89 21 83 1
BRACKET 1 24.5700 -20.5100 24.5700 -19.1100
1 27.7200 -24.7800 27.7200 -26.2500
1 n
ORIGINAL 1 1 3 4 25 29 33 35 36 39 40 41 46 47
REPEAT 1
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