COMPOUND: C20755
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Entry
C20755 Compound
Name
2-Thio-N6-dimethylallyladenine in tRNA;
2-Sulfanyl-N6-dimethylallyladenine in tRNA;
N6-(3-Methylbut-2-en-1-yl)-2-thioadenine in tRNA
Formula
C15H22N5O7PS(C5H8O6PR)n(C5H8O6PR)n
Structure
Mol file
KCF file
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Comment
Generic compound in reaction hierarchy
Reaction
R10646
R10647
Enzyme
2.8.4.3
Other DBs
PubChem:
254741223
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KCF data
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ATOM 55
1 C1y C 9.8000 -20.5100
2 C1y C 11.2000 -20.5100
3 C1y C 11.6200 -19.1800
4 C1y C 10.5000 -18.3400
5 O2x O 9.3800 -19.1800
6 O2b O 12.1800 -21.4900
7 C1b C 8.6100 -21.2100
8 R R 9.8000 -17.1500
9 O2b O 7.2100 -21.2100
10 P1b P 5.8100 -21.2100
11 O1c O 5.8100 -22.6100
12 O1c O 5.8100 -19.8100
13 O1c O 4.4100 -21.2100
14 C1y C 19.1100 -20.7900
15 C1y C 20.5100 -20.7900
16 C1y C 20.9300 -19.4600
17 C1y C 19.8100 -18.6200
18 O2x O 18.6900 -19.4600
19 O2b O 21.2800 -21.6300
20 C1b C 17.9200 -21.4900
21 O2b O 16.5200 -21.4900
22 P1b P 15.1200 -21.4900
23 O1c O 15.1200 -22.8900
24 O1c O 15.1200 -20.0900
25 C1y C 27.7900 -20.9300
26 C1y C 29.1900 -20.9300
27 C1y C 29.6100 -19.6000
28 C1y C 28.4900 -18.7600
29 O2x O 27.3700 -19.6000
30 O1a O 30.1700 -21.9100
31 C1b C 26.6000 -21.6300
32 R R 27.7900 -17.5700
33 O2b O 25.2000 -21.6300
34 P1b P 23.8000 -21.6300
35 O1c O 23.8000 -23.0300
36 O1c O 23.8000 -20.2300
37 C8y C 19.0400 -14.4200
38 C8y C 19.0400 -15.8200
39 N5x N 17.8500 -16.5200
40 C8y C 16.5900 -15.8200
41 N5x N 16.5900 -14.4200
42 C8y C 17.8500 -13.7200
43 N4y N 20.3700 -16.2400
44 C8x C 21.2100 -15.1200
45 N5x N 20.3700 -14.0000
46 N1b N 17.8500 -12.3200
47 O1a O 12.6099 -18.1901
48 O1a O 21.7099 -18.3301
49 O1a O 30.5999 -18.6101
50 C1b C 19.0624 -11.6200
51 C2b C 19.0624 -10.2200
52 C2c C 20.2749 -9.5200
53 C1a C 21.4873 -10.2200
54 C1a C 20.2749 -8.1200
55 S1a S 15.3834 -16.5300
BOND 59
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 2 6 1 #Down
7 1 7 1 #Up
8 4 8 1 #Up
9 7 9 1
10 9 10 1
11 10 11 2
12 10 12 1
13 10 13 1
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 14 18 1
19 15 19 1 #Down
20 14 20 1 #Up
21 20 21 1
22 21 22 1
23 22 23 2
24 22 24 1
25 22 6 1
26 25 26 1
27 26 27 1
28 27 28 1
29 28 29 1
30 25 29 1
31 26 30 1 #Down
32 25 31 1 #Up
33 28 32 1 #Up
34 31 33 1
35 33 34 1
36 34 35 2
37 34 36 1
38 34 19 1
39 37 38 2
40 38 39 1
41 39 40 2
42 40 41 1
43 41 42 2
44 37 42 1
45 38 43 1
46 43 44 1
47 44 45 2
48 37 45 1
49 42 46 1
50 17 43 1 #Up
51 3 47 1 #Down
52 16 48 1 #Down
53 27 49 1 #Down
54 46 50 1
55 50 51 1
56 51 52 2
57 52 53 1
58 52 54 1
59 40 55 1
BRACKET 1 5.4600 -23.8700 5.4600 -16.5200
1 13.5800 -16.5200 13.5800 -23.8700
1 n
ORIGINAL 1 1 2 3 4 5 6 7 8 9 10 11 12 48
REPEAT 1
2 23.4500 -24.2900 23.4500 -16.8700
2 31.5700 -16.8700 31.5700 -24.2900
2 n
ORIGINAL 2 25 26 27 28 29 30 31 32 33 34 35 36 50
REPEAT 2
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