| Entry |
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| Name |
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| Formula |
C44H52N4O17
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| Exact mass |
908.3327
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| Mol weight |
908.90
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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 65
1 C1z C 25.1774 -17.7105
2 C2y C 25.1774 -20.2417
3 C1z C 24.5475 -16.4624
4 N1x N 26.5481 -17.4946
5 C5a C 23.9760 -18.3812
6 C2y C 24.5417 -21.4840
7 N2x N 26.5422 -20.4459
8 C1y C 25.5450 -15.4883
9 C1b C 23.1654 -16.4507
10 C1a C 24.1801 -15.1150
11 C2y C 26.7696 -16.1415
12 C1a C 24.0341 -19.7634
13 O5a O 22.7978 -17.6871
14 C1z C 25.5390 -22.4405
15 C1b C 23.1887 -21.7056
16 C2y C 26.7580 -21.8106
17 C1b C 25.5624 -14.1119
18 C2x C 28.0294 -15.6691
19 C1b C 25.5273 -23.8228
20 C1a C 26.7235 -23.4881
21 C6a C 22.7046 -23.0003
22 C1x C 28.0294 -22.2831
23 C1b C 24.3784 -13.4119
24 C2y C 29.2600 -16.1824
25 C1b C 24.3201 -24.5168
26 O6a O 21.3515 -23.2220
27 O6a O 23.5794 -24.0562
28 C8y C 29.2717 -21.7640
29 C6a C 24.3263 -12.0298
30 C1z C 30.4499 -15.4826
31 N2x N 29.5517 -17.5355
32 C6a C 24.3143 -25.9050
33 C8y C 30.4790 -22.4172
34 N4x N 29.5226 -20.4109
35 O6a O 23.1364 -11.3298
36 O6a O 25.5218 -11.3475
37 C2y C 31.4822 -16.3983
38 C1b C 30.9383 -14.2978
39 C1a C 29.4631 -14.2955
40 C2y C 30.9281 -17.6637
41 O6a O 23.1186 -26.5873
42 O6a O 25.4982 -26.5989
43 C8y C 31.4822 -21.4782
44 C1b C 30.6132 -23.7877
45 C8y C 30.8930 -20.2242
46 C1b C 32.8586 -16.3923
47 C6a C 32.1280 -13.6039
48 C1x C 31.4414 -18.9470
49 C1b C 32.8179 -21.1165
50 C1b C 31.8728 -24.3651
51 C1b C 33.5411 -15.1851
52 O6a O 32.1220 -12.2216
53 O6a O 33.3237 -14.2921
54 C6a C 33.7977 -22.0789
55 C6a C 32.0012 -25.7416
56 C6a C 34.9233 -15.1793
57 O6a O 35.1275 -21.7114
58 O6a O 33.4535 -23.4144
59 O6a O 30.8756 -26.5348
60 O6a O 33.2669 -26.3074
61 O6a O 35.6056 -13.9836
62 O6a O 35.6232 -16.3750
63 C6a C 21.9548 -15.7669
64 O6a O 20.7464 -16.4646
65 O6a O 21.9483 -14.3719
BOND 69
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 2
33 28 34 1
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 1
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 46 51 1
51 47 52 1
52 47 53 2
53 49 54 1
54 50 55 1
55 51 56 1
56 54 57 1
57 54 58 2
58 55 59 1
59 55 60 2
60 56 61 1
61 56 62 2
62 8 11 1
63 14 16 1
64 37 40 2
65 43 45 2
66 45 48 1
67 9 63 1
68 63 64 1
69 63 65 2
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