Entry |
|
Name |
Precorrin 8X;
Precorrin 8;
Precorrin-8X
|
Formula |
C45H60N4O14
|
Exact mass |
880.4106
|
Mol weight |
880.97
|
Structure |
|
Reaction |
|
Pathway |
|
Module |
M00925 | Cobalamin biosynthesis, aerobic, uroporphyrinogen III => precorrin 2 => cobyrinate a,c-diamide |
|
Enzyme |
|
Other DBs |
|
LinkDB |
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KCF data |
ATOM 63
1 C1z C 21.9154 -15.9574
2 C1y C 21.9154 -18.4950
3 C1z C 21.2780 -14.7062
4 N2x N 23.2893 -15.7410
5 C1a C 20.5589 -16.3141
6 C1y C 21.2780 -19.7404
7 N2x N 23.2835 -18.6996
8 C1y C 22.2837 -13.7297
9 C1b C 19.8982 -14.6945
10 C1a C 20.9155 -13.3614
11 C2y C 23.5116 -14.3845
12 C1z C 22.2779 -20.6992
13 C1b C 19.9216 -19.9625
14 C2y C 23.4999 -20.0678
15 C1b C 22.3013 -12.3499
16 C6a C 19.2199 -13.4901
17 C2y C 24.7745 -13.9110
18 C1b C 22.2662 -22.0848
19 C1a C 23.5993 -21.0500
20 C6a C 19.4363 -21.2604
21 C1y C 24.7745 -20.5413
22 C1b C 21.1144 -11.6484
23 O6a O 17.8460 -13.4842
24 O6a O 19.9158 -12.3090
25 C2y C 26.0022 -14.4256
26 C1a C 24.7687 -12.5137
27 C1b C 21.0559 -22.7807
28 O6a O 18.0798 -21.4827
29 O6a O 20.3134 -22.3188
30 C2y C 26.0139 -20.0210
31 C1a C 24.7687 -21.9329
32 C6a C 21.1261 -10.2626
33 C1z C 27.2008 -13.7240
34 N2x N 26.2947 -15.7820
35 C6a C 21.0501 -24.1722
36 C2y C 27.2242 -20.6758
37 N2x N 26.2713 -18.6645
38 O6a O 19.9392 -9.5610
39 O6a O 22.3305 -9.5844
40 C1y C 28.2299 -14.6419
41 C1b C 27.1951 -12.3266
42 C1a C 26.0720 -12.7431
43 C2y C 27.6803 -15.9106
44 O6a O 19.8515 -24.8562
45 O6a O 22.2370 -24.8679
46 C2y C 28.2358 -19.7344
47 C1b C 27.3646 -22.0497
48 C1z C 27.6452 -18.4773
49 C1b C 29.6157 -14.6360
50 C6a C 28.3937 -11.6308
51 C1x C 28.1949 -17.1970
52 C1a C 29.5689 -19.7219
53 C1b C 28.6275 -22.6345
54 C1a C 28.9900 -18.1790
55 C1b C 30.2997 -13.4316
56 O6a O 28.3877 -10.2451
57 O6a O 29.5923 -12.3207
58 C6a C 28.7562 -24.0085
59 C6a C 31.6854 -13.4199
60 O6a O 27.6278 -24.8037
61 O6a O 30.0250 -24.5756
62 O6a O 32.3694 -12.2213
63 O6a O 32.3811 -14.6243
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 2
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 1
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 #Down
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 2
46 36 47 1
47 37 48 1
48 40 49 1 #Down
49 41 50 1
50 43 51 1
51 46 52 1
52 47 53 1
53 48 54 1 #Down
54 49 55 1
55 50 56 1
56 50 57 2
57 53 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 1
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