Entry |
|
Name |
Cobalt-precorrin 8;
Cobalt-precorrin-8
|
Formula |
C45H59CoN4O14
|
Exact mass |
938.3360
|
Mol weight |
938.90
|
Structure |
|
Reaction |
|
Pathway |
|
Module |
M00924 | Cobalamin biosynthesis, anaerobic, uroporphyrinogen III => sirohydrochlorin => cobyrinate a,c-diamide |
|
Enzyme |
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 64
1 C2y C 30.7362 -29.1699
2 C1y C 29.5677 -28.5471
3 C2y C 31.9448 -28.7192
4 N1y N 30.5252 -30.4667
5 C1z C 28.6101 -29.4769
6 C1b C 29.5846 -27.2280
7 C2y C 33.1188 -29.2146
8 C1z C 29.2172 -30.6732
9 C1b C 26.7932 -28.7091
10 C1a C 27.6697 -26.8894
11 C1b C 28.4428 -26.5596
12 C1z C 34.2537 -28.5416
13 N2x N 33.3968 -30.5059
14 C1y C 29.2228 -33.0933
15 C6a C 25.7773 -29.2492
16 C6a C 28.4595 -25.2452
17 C2y C 35.2448 -29.4211
18 C1b C 34.2482 -27.2058
19 C1a C 35.5068 -27.9708
20 C2y C 34.7103 -30.6285
21 O6a O 25.7797 -30.4652
22 O6a O 24.4970 -28.6412
23 O6a O 27.3302 -24.5773
24 O6a O 29.6124 -24.5954
25 C1b C 36.5640 -29.4156
26 C6a C 35.3955 -26.5429
27 C1x C 35.2058 -31.8528
28 C1y C 28.6101 -34.2857
29 N2x N 30.5197 -33.2891
30 C1b C 37.2157 -28.2626
31 O6a O 35.3955 -25.2293
32 O6a O 36.8585 -26.5528
33 C1z C 34.6768 -33.0715
34 C1z C 29.5622 -35.1985
35 C1b C 27.3133 -34.4966
36 C2y C 30.7307 -34.5971
37 C6a C 38.5403 -28.2515
38 C2y C 35.2505 -34.2802
39 N2x N 33.3688 -33.2556
40 C1b C 29.5511 -36.5233
41 C6a C 26.8514 -35.7264
42 C1y C 31.9448 -35.0478
43 O6a O 39.1911 -27.1053
44 O6a O 39.2077 -29.3987
45 C2y C 34.2872 -35.1763
46 C1a C 36.5855 -34.3141
47 C2y C 33.1299 -34.5525
48 C1b C 28.3938 -37.1851
49 O6a O 25.5546 -35.9498
50 O6a O 27.6860 -36.7455
51 C1b C 34.2874 -36.1998
52 C6a C 28.3882 -38.5154
53 C1b C 35.2994 -36.6703
54 O6a O 27.2465 -39.1671
55 O6a O 29.5231 -39.1783
56 C6a C 35.7729 -37.8209
57 O6a O 35.0984 -39.2383
58 O6a O 37.2625 -37.8203
59 Z Co 31.8665 -31.9428 #+
60 C1a C 30.7134 -37.3508
61 C1a C 35.9597 -32.7183
62 C1a C 27.4632 -31.5517
63 C1a C 31.9718 -36.3827
64 C1a C 31.9731 -27.3843
BOND 68
1 4 8 1
2 5 9 1 #Up
3 5 10 1 #Down
4 6 11 1
5 7 12 1
6 7 13 2
7 8 14 1
8 9 15 1
9 11 16 1
10 12 17 1
11 12 18 1 #Up
12 12 19 1 #Down
13 13 20 1
14 15 21 1
15 15 22 2
16 16 23 1
17 16 24 2
18 17 25 1
19 18 26 1
20 20 27 1
21 14 28 1
22 14 29 1
23 25 30 1
24 26 31 1
25 26 32 2
26 27 33 1
27 28 34 1
28 28 35 1 #Up
29 29 36 2
30 30 37 1
31 33 38 1
32 33 39 1
33 34 40 1 #Down
34 35 41 1
35 36 42 1
36 37 43 1
37 37 44 2
38 38 45 2
39 38 46 1
40 39 47 2
41 40 48 1
42 41 49 1
43 41 50 2
44 45 51 1
45 48 52 1
46 51 53 1
47 52 54 1
48 52 55 2
49 53 56 1
50 56 57 1
51 56 58 2
52 5 8 1
53 17 20 2
54 34 36 1
55 42 47 1
56 45 47 1
57 1 2 1
58 1 3 2
59 34 60 1 #Up
60 1 4 1
61 2 5 1
62 33 61 1 #Down
63 4 59 1
64 8 62 1 #Down
65 2 6 1 #Down
66 42 63 1
67 3 7 1
68 3 64 1
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