| Entry |
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| Name |
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| Formula |
C45H54N4O17
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| Exact mass |
922.3484
|
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| Mol weight |
922.9269
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| Structure |
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| Reaction |
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| Pathway |
|
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| Module |
| M00925 | Cobalamin biosynthesis, aerobic, uroporphyrinogen III => precorrin 2 => cobyrinate a,c-diamide |
|
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| Enzyme |
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 66
1 C1z C 25.0386 -18.3055
2 C2y C 25.0386 -20.8434
3 C1z C 24.4070 -17.0482
4 N1x N 26.4127 -18.0833
5 C5a C 23.8338 -18.9780
6 C2y C 24.4011 -22.0830
7 N2x N 26.4070 -21.0481
8 C1y C 25.4069 -16.0775
9 C1b C 23.0210 -17.0424
10 C1a C 24.0386 -15.6332
11 C2y C 26.6350 -16.7266
12 C1a C 23.8224 -20.3581
13 O5a O 22.6527 -18.2763
14 C1z C 25.4011 -23.0480
15 C1b C 23.0444 -22.3112
16 C2y C 26.6233 -22.4165
17 C1b C 25.4246 -14.6917
18 C2x C 27.8981 -16.2530
19 C1b C 25.3894 -24.4338
20 C1a C 26.7284 -23.3989
21 C6a C 22.5591 -23.6035
22 C1x C 27.8981 -22.8901
23 C1b C 24.2374 -13.9899
24 C2y C 29.1320 -16.7735
25 C1b C 24.1790 -25.1238
26 O6a O 21.2025 -23.8316
27 O6a O 23.4363 -24.6619
28 C2y C 29.1437 -22.3697
29 C6a C 24.2491 -12.6098
30 C1z C 30.3248 -16.0717
31 N2x N 29.4186 -18.1301
32 C6a C 24.1732 -26.5216
33 C2y C 30.3482 -23.0246
34 N2x N 29.3952 -21.0130
35 O6a O 23.0621 -11.9023
36 O6a O 25.4538 -11.9257
37 C2y C 31.3600 -16.9898
38 C1b C 30.8844 -14.9538
39 C1a C 29.2656 -14.9455
40 C2y C 30.8044 -18.2586
41 O6a O 22.9745 -27.2057
42 O6a O 25.3601 -27.2174
43 C2y C 31.3600 -22.0830
44 C1b C 30.4886 -24.3987
45 C1z C 30.7693 -20.8257
46 C1b C 32.7400 -16.9839
47 C6a C 32.0774 -14.2580
48 C1x C 31.3189 -19.5394
49 C1b C 32.6990 -21.7147
50 C1b C 31.7517 -24.9777
51 C1a C 32.1142 -20.4515
52 C1b C 33.4241 -15.7734
53 O6a O 32.0714 -12.8722
54 O6a O 33.2762 -14.9421
55 C6a C 33.6814 -22.6854
56 C6a C 31.8804 -26.3577
57 C6a C 34.8100 -15.7676
58 O6a O 35.0148 -22.3112
59 O6a O 33.3306 -24.0244
60 O6a O 30.7518 -27.1471
61 O6a O 33.1494 -26.9250
62 O6a O 35.4941 -14.5629
63 O6a O 35.5058 -16.9664
64 C6a C 21.8018 -16.3685
65 O6a O 20.5902 -17.0680
66 O6a O 21.7887 -15.0399
BOND 70
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1
5 2 6 2
6 2 7 1
7 3 8 1
8 3 9 1 #Up
9 3 10 1 #Down
10 4 11 1
11 5 12 1
12 5 13 2
13 6 14 1
14 6 15 1
15 7 16 2
16 8 17 1 #Down
17 11 18 2
18 14 19 1 #Down
19 14 20 1 #Up
20 15 21 1
21 16 22 1
22 17 23 1
23 18 24 1
24 19 25 1
25 21 26 1
26 21 27 2
27 22 28 1
28 23 29 1
29 24 30 1
30 24 31 2
31 25 32 1
32 28 33 1
33 28 34 2
34 29 35 1
35 29 36 2
36 30 37 1
37 30 38 1 #Up
38 30 39 1 #Down
39 31 40 1
40 32 41 1
41 32 42 2
42 33 43 2
43 33 44 1
44 34 45 1
45 37 46 1
46 38 47 1
47 40 48 1
48 43 49 1
49 44 50 1
50 45 51 1 #Down
51 46 52 1
52 47 53 1
53 47 54 2
54 49 55 1
55 50 56 1
56 52 57 1
57 55 58 1
58 55 59 2
59 56 60 1
60 56 61 2
61 57 62 1
62 57 63 2
63 8 11 1
64 14 16 1
65 37 40 2
66 43 45 1
67 45 48 1
68 9 64 1
69 64 65 1
70 64 66 2
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