Entry |
|
Name |
|
Formula |
C22H36N7O17P3S
|
Exact mass |
795.1101
|
Mol weight |
795.5442
|
Structure |

|
Reaction |
|
Pathway |
map00630 | Glyoxylate and dicarboxylate metabolism |
|
Enzyme |
|
Other DBs |
|
KCF data |
ATOM 50
1 C4a C 30.0749 -31.2200
2 S2a S 31.2873 -31.9200
3 C1b C 32.4997 -31.2200
4 C1b C 33.7122 -31.9200
5 N1b N 34.9246 -31.2200
6 C5a C 36.1370 -31.9200
7 C1b C 37.3495 -31.2200
8 C1b C 38.5619 -31.9200
9 N1b N 39.7744 -31.2200
10 C5a C 40.9868 -31.9200
11 C1c C 42.1992 -31.2200
12 C1d C 43.4117 -31.9200
13 C1b C 44.6241 -31.2200
14 O2b O 45.8365 -31.9200
15 O4a O 30.0749 -29.8202
16 O5a O 36.1370 -33.3199
17 O5a O 40.9868 -33.3196
18 O1a O 42.1992 -29.8200
19 C1a C 43.4117 -30.5200
20 C1a C 43.4117 -33.3200
21 P1b P 47.2365 -31.9200
22 O1c O 48.6365 -31.9200
23 O1c O 47.2365 -33.3200
24 C1y C 40.7400 -26.9500
25 C1y C 42.1400 -26.9500
26 C1y C 42.5726 -25.6185
27 O2x O 41.4400 -24.7956
28 C1y C 40.3074 -25.6185
29 C1b C 43.8922 -25.1897
30 O1a O 39.9171 -28.0826
31 O2b O 42.9629 -28.0826
32 P1b P 44.3629 -28.0826
33 O1c O 44.3629 -26.6826
34 O1c O 45.7629 -28.0826
35 O1c O 44.3629 -29.4826
36 C8y C 36.1900 -23.8000
37 C8y C 36.1900 -25.2000
38 N4y N 38.6149 -25.2000
39 C8x C 38.6149 -23.8000
40 N5x N 37.4024 -23.1000
41 C8y C 34.9776 -23.1000
42 N5x N 33.7651 -23.8000
43 C8x C 33.7651 -25.2000
44 N5x N 34.9776 -25.9000
45 N1a N 34.9776 -21.7002
46 O2b O 45.8745 -25.6220
47 P1b P 47.2745 -25.6220
48 O1c O 47.2745 -24.2220
49 O1c O 48.6745 -25.6220
50 O2c O 47.2745 -28.8420
BOND 52
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 1 15 2
15 6 16 2
16 10 17 2
17 11 18 1 #Down
18 12 19 1
19 12 20 1
20 14 21 1
21 21 22 2
22 21 23 1
23 24 25 1
24 25 26 1
25 26 27 1
26 27 28 1
27 24 28 1
28 26 29 1 #Down
29 24 30 1 #Up
30 25 31 1 #Up
31 31 32 1
32 32 33 1
33 32 34 1
34 32 35 2
35 36 37 2
36 37 38 1
37 38 39 1
38 39 40 2
39 36 40 1
40 36 41 1
41 41 42 2
42 42 43 1
43 43 44 2
44 37 44 1
45 41 45 1
46 28 38 1 #Down
47 29 46 1
48 46 47 1
49 47 48 1
50 47 49 2
51 47 50 1
52 21 50 1
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