| | COMPOUND: C00845 | |
Entry |
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Name |
|
Formula |
C26H38N7O18P3S
|
Exact mass |
861.1207
|
Mol weight |
861.60
|
Structure |
|
Reaction |
|
Pathway |
map01120 | Microbial metabolism in diverse environments |
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Enzyme |
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Other DBs |
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KCF data |
ATOM 55
1 C8y C 29.4924 -30.8700
2 C5a C 30.7049 -30.1700
3 S2a S 31.9173 -30.8700
4 C1b C 33.1297 -30.1700
5 C1b C 34.3422 -30.8700
6 N1b N 35.5546 -30.1700
7 C5a C 36.7670 -30.8700
8 C1b C 37.9795 -30.1700
9 C1b C 39.1919 -30.8700
10 N1b N 40.4044 -30.1700
11 C5a C 41.6168 -30.8700
12 C1c C 42.8292 -30.1700
13 C1d C 44.0417 -30.8700
14 C1b C 45.2541 -30.1700
15 O2b O 46.4665 -30.8700
16 O5a O 30.7049 -28.7702
17 O5a O 36.7670 -32.2699
18 O5a O 41.6168 -32.2696
19 O1a O 42.8292 -28.7700
20 C1a C 44.0417 -29.4700
21 C1a C 44.0417 -32.2700
22 P1b P 47.8665 -30.8700
23 O1c O 49.2665 -30.8700
24 O1c O 47.8665 -32.2700
25 C1y C 41.3700 -25.9000
26 C1y C 42.7700 -25.9000
27 C1y C 43.2026 -24.5685
28 O2x O 42.0700 -23.7456
29 C1y C 40.9374 -24.5685
30 C1b C 44.5222 -24.1397
31 O1a O 40.5471 -27.0326
32 O2b O 43.5929 -27.0326
33 P1b P 44.9929 -27.0326
34 O1c O 44.9929 -25.6326
35 O1c O 46.3929 -27.0326
36 O1c O 44.9929 -28.4326
37 C8y C 36.8200 -22.7500
38 C8y C 36.8200 -24.1500
39 N4y N 39.2449 -24.1500
40 C8x C 39.2449 -22.7500
41 N5x N 38.0324 -22.0500
42 C8y C 35.6076 -22.0500
43 N5x N 34.3951 -22.7500
44 C8x C 34.3951 -24.1500
45 N5x N 35.6076 -24.8500
46 N1a N 35.6076 -20.6502
47 O2b O 46.5045 -24.5720
48 P1b P 47.9045 -24.5720
49 O1c O 47.9045 -23.1720
50 O1c O 49.3045 -24.5720
51 O2c O 47.9045 -27.7920
52 C8x C 28.1948 -30.2921
53 C8x C 27.2443 -31.3476
54 C8x C 27.9543 -32.5778
55 O2x O 29.3438 -32.2826
BOND 58
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 13 14 1
14 14 15 1
15 2 16 2
16 7 17 2
17 11 18 2
18 12 19 1 #Down
19 13 20 1
20 13 21 1
21 15 22 1
22 22 23 2
23 22 24 1
24 25 26 1
25 26 27 1
26 27 28 1
27 28 29 1
28 25 29 1
29 27 30 1 #Down
30 25 31 1 #Up
31 26 32 1 #Up
32 32 33 1
33 33 34 1
34 33 35 1
35 33 36 2
36 37 38 2
37 38 39 1
38 39 40 1
39 40 41 2
40 37 41 1
41 37 42 1
42 42 43 2
43 43 44 1
44 44 45 2
45 38 45 1
46 42 46 1
47 29 39 1 #Down
48 30 47 1
49 47 48 1
50 48 49 1
51 48 50 2
52 48 51 1
53 22 51 1
54 1 52 2
55 52 53 1
56 53 54 2
57 54 55 1
58 1 55 1
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