| Entry |
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| Name |
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| Formula |
C26H44N7O17P3S
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| Exact mass |
851.1727
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| Mol weight |
851.6505
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| Structure |
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| Reaction |
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| Pathway |
| map00280 | Valine, leucine and isoleucine degradation |
| map01110 | Biosynthesis of secondary metabolites |
| map01210 | 2-Oxocarboxylic acid metabolism |
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| Network |
nt06024 Valine, leucine and isoleucine degradation nt06032 Lipoic acid metabolism |
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| Enzyme |
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 54
1 S2a S 13.7900 -23.4500
2 C1b C 14.9800 -22.7500
3 C1b C 16.2400 -23.4500
4 N1b N 17.4300 -22.7500
5 C5a C 18.6200 -23.4500
6 C1b C 19.8800 -22.7500
7 C1b C 21.0700 -23.4500
8 N1b N 22.2600 -22.7500
9 C5a C 23.5200 -23.4500
10 C1c C 24.7100 -22.7500
11 C1d C 25.9000 -23.4500
12 C1b C 27.0900 -22.7500
13 O2b O 28.3500 -23.4500
14 O5a O 18.6200 -24.8500
15 O5a O 23.5200 -24.8500
16 O1a O 24.7100 -21.3500
17 C1a C 25.9000 -22.0500
18 C1a C 25.9000 -24.8500
19 P1b P 29.7500 -23.4500
20 O1c O 31.1500 -23.4500
21 O1c O 29.7500 -24.8500
22 C1y C 23.2400 -18.4800
23 C1y C 24.6400 -18.4800
24 C1y C 25.0600 -17.1500
25 O2x O 23.9400 -16.3100
26 C1y C 22.8200 -17.1500
27 C1b C 26.3900 -16.7300
28 O1a O 22.4000 -19.6000
29 O2b O 25.4800 -19.6000
30 P1b P 26.8800 -19.6000
31 O1c O 26.8800 -18.2000
32 O1c O 28.2800 -19.6000
33 O1c O 26.8800 -21.0000
34 C8y C 18.6900 -15.3300
35 C8y C 18.6900 -16.7300
36 N4y N 21.1400 -16.7300
37 C8x C 21.1400 -15.3300
38 N5x N 19.8800 -14.6300
39 C8y C 17.5000 -14.6300
40 N5x N 16.2400 -15.3300
41 C8x C 16.2400 -16.7300
42 N5x N 17.5000 -17.4300
43 N1a N 17.5000 -13.2300
44 O2b O 28.3500 -17.1500
45 P1b P 29.7500 -17.1500
46 O1c O 29.7500 -15.7500
47 O1c O 31.1500 -17.1500
48 O2c O 29.7500 -20.3700
49 C5a C 12.6000 -22.7500
50 C1c C 11.3400 -23.4500
51 C1b C 10.1500 -22.7500
52 C1a C 8.9600 -23.4500
53 O5a O 12.6000 -21.3500
54 C1a C 11.3400 -24.8500
BOND 56
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 5 14 2
14 9 15 2
15 10 16 1 #Down
16 11 17 1
17 11 18 1
18 13 19 1
19 19 20 2
20 19 21 1
21 22 23 1
22 23 24 1
23 24 25 1
24 25 26 1
25 22 26 1
26 24 27 1 #Down
27 22 28 1 #Up
28 23 29 1 #Up
29 29 30 1
30 30 31 1
31 30 32 1
32 30 33 2
33 34 35 2
34 35 36 1
35 36 37 1
36 37 38 2
37 34 38 1
38 34 39 1
39 39 40 2
40 40 41 1
41 41 42 2
42 35 42 1
43 39 43 1
44 26 36 1 #Down
45 27 44 1
46 44 45 1
47 45 46 1
48 45 47 2
49 45 48 1
50 19 48 1
51 1 49 1
52 49 50 1
53 50 51 1
54 51 52 1
55 49 53 2
56 50 54 1 #Up
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