| Entry |
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| Name |
Hydrogenobyrinate;
Hydrogenobyrinic acid
|
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| Formula |
C45H60N4O14
|
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| Exact mass |
880.4106
|
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| Mol weight |
880.97
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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 63
1 C1z C 21.9164 -15.9810
2 C1y C 21.9164 -18.5176
3 C1z C 21.2853 -14.7303
4 N2x N 23.2898 -15.7649
5 C1a C 20.5605 -16.3376
6 C1y C 21.2853 -19.7625
7 N1x N 23.2898 -18.7222
8 C1y C 22.2846 -13.7542
9 C1b C 19.9059 -14.7186
10 C1a C 20.9229 -13.3861
11 C2y C 23.5120 -14.4090
12 C1z C 22.2788 -20.7210
13 C1b C 19.9234 -19.9846
14 C2y C 23.5061 -20.0898
15 C1b C 22.3080 -12.3751
16 C6a C 19.2280 -13.5147
17 C2y C 24.7803 -13.9354
18 C1b C 22.2671 -22.1061
19 C1a C 23.5356 -21.4217
20 C6a C 19.4442 -21.2820
21 C2y C 24.7803 -20.5632
22 C1b C 21.1215 -11.6737
23 O6a O 17.8486 -13.5088
24 O6a O 19.9234 -12.3341
25 C2y C 26.0076 -14.4498
26 C1a C 24.7686 -12.5386
27 C1b C 21.0632 -22.8017
28 O6a O 18.0824 -21.5042
29 O6a O 20.3208 -22.3400
30 C2y C 26.0193 -20.0431
31 C1a C 24.7686 -21.9542
32 C6a C 21.1332 -10.2885
33 C1z C 27.2058 -13.7485
34 N2x N 26.2998 -15.8058
35 C6a C 21.0573 -24.1927
36 C1y C 27.2292 -20.6976
37 N2x N 26.2764 -18.6871
38 O6a O 19.9410 -9.5871
39 O6a O 22.3373 -9.6105
40 C1y C 28.2344 -14.6661
41 C1b C 27.1998 -12.3517
42 C1a C 25.8673 -13.3978
43 C2y C 27.6851 -15.9402
44 O6a O 19.8534 -24.8764
45 O6a O 22.2437 -24.8881
46 C1z C 28.2402 -19.7566
47 C1b C 27.3636 -22.0712
48 C2y C 27.6441 -18.5002
49 C1b C 29.6137 -14.6602
50 C6a C 28.3922 -11.6561
51 C2x C 28.1936 -17.2202
52 C1a C 29.5727 -19.3942
53 C1a C 28.7546 -21.0600
54 C1b C 28.6259 -22.6556
55 C1b C 30.2975 -13.4563
56 O6a O 28.3922 -10.2710
57 O6a O 29.5961 -12.3458
58 C6a C 28.7603 -24.0290
59 C6a C 31.6827 -13.4446
60 O6a O 27.6266 -24.8239
61 O6a O 30.0286 -24.5959
62 O6a O 32.3724 -12.2464
63 O6a O 32.3841 -14.6485
BOND 67
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Down
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1 #Up
9 3 10 1 #Down
10 4 11 2
11 6 12 1
12 6 13 1 #Up
13 7 14 1
14 8 15 1 #Down
15 9 16 1
16 11 17 1
17 12 18 1 #Down
18 12 19 1 #Up
19 13 20 1
20 14 21 2
21 15 22 1
22 16 23 1
23 16 24 2
24 17 25 2
25 17 26 1
26 18 27 1
27 20 28 1
28 20 29 2
29 21 30 1
30 21 31 1
31 22 32 1
32 25 33 1
33 25 34 1
34 27 35 1
35 30 36 1
36 30 37 2
37 32 38 1
38 32 39 2
39 33 40 1
40 33 41 1 #Up
41 33 42 1 #Down
42 34 43 2
43 35 44 1
44 35 45 2
45 36 46 1
46 36 47 1 #Down
47 37 48 1
48 40 49 1 #Down
49 41 50 1
50 43 51 1
51 46 52 1
52 46 53 1
53 47 54 1
54 49 55 1
55 50 56 1
56 50 57 2
57 54 58 1
58 55 59 1
59 58 60 1
60 58 61 2
61 59 62 1
62 59 63 2
63 8 11 1
64 12 14 1
65 40 43 1
66 46 48 1
67 48 51 2
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