 | | COMPOUND: C11543 | |
| Entry |
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| Name |
Cobalt-dihydro-precorrin 6;
Cobalt-precorrin 6B
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| Formula |
C44H55CoN4O16
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| Exact mass |
954.2945
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| Mol weight |
954.8579
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| Structure |
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| Reaction |
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| Pathway |
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| Module |
| M00924 | Cobalamin biosynthesis, anaerobic, uroporphyrinogen III => sirohydrochlorin => cobyrinate a,c-diamide |
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| Enzyme |
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| Other DBs |
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| KCF data |
ATOM 65
1 C2y C 30.5093 -29.1074
2 C1y C 29.3331 -28.4805
3 C2x C 31.7259 -28.6537
4 N1y N 30.2969 -30.4127
5 C1z C 28.3692 -29.4164
6 C1b C 29.3501 -27.1526
7 C2y C 32.9076 -29.1523
8 C1z C 28.9803 -30.6206
9 C1b C 26.7439 -28.5758
10 C1a C 27.5651 -27.1512
11 C1b C 28.2008 -26.4798
12 C1z C 34.0501 -28.4750
13 N2x N 33.1875 -30.4522
14 C1y C 28.9860 -33.0567
15 C6a C 25.7892 -29.2550
16 C6a C 28.2175 -25.1567
17 C2y C 35.0478 -29.3602
18 C1b C 34.0446 -27.1303
19 C1a C 32.3929 -27.2215
20 C2y C 34.5097 -30.5756
21 O6a O 25.7917 -30.6149
22 O6a O 24.6362 -28.4394
23 O6a O 27.0808 -24.4844
24 O6a O 29.3781 -24.5026
25 C1b C 36.3756 -29.3547
26 C6a C 35.1994 -26.4630
27 C1x C 35.0085 -31.8080
28 C1y C 28.3692 -34.2570
29 N2x N 30.2913 -33.2538
30 C1b C 37.0316 -28.1941
31 O6a O 35.1994 -25.1407
32 O6a O 36.3531 -27.1246
33 C1z C 34.4759 -33.0347
34 C1z C 29.3276 -35.1758
35 C1b C 27.0638 -34.4693
36 C2y C 30.5038 -34.5705
37 C6a C 38.3650 -28.1829
38 C2y C 35.0535 -34.2515
39 N2x N 33.1593 -33.2201
40 C1b C 29.3164 -36.5094
41 C6a C 26.5989 -35.7072
42 C1x C 31.7259 -35.0241
43 O6a O 39.0201 -27.0292
44 O6a O 39.0369 -29.3377
45 C2y C 34.0838 -35.1535
46 C1b C 36.3362 -33.8986
47 C2y C 32.9189 -34.5255
48 C1b C 28.1514 -37.1755
49 O6a O 25.2935 -35.9320
50 O6a O 27.4390 -36.7330
51 C1b C 34.0840 -36.3874
52 C6a C 37.2778 -34.8220
53 C6a C 28.1459 -38.5146
54 C1b C 35.4285 -37.0307
55 O6a O 38.5607 -34.4750
56 O6a O 36.9474 -36.1174
57 O6a O 26.9966 -39.1706
58 O6a O 29.2882 -39.1819
59 C6a C 35.4435 -38.3585
60 O6a O 34.2216 -39.3102
61 O6a O 36.5357 -39.0367
62 Z Co 31.6471 -31.8986 #+
63 C1a C 29.9908 -36.3310
64 C1a C 35.7673 -32.6793
65 C1a C 27.2825 -31.7085
BOND 69
1 3 7 1
2 4 8 1
3 5 9 1 #Up
4 5 10 1 #Down
5 6 11 1
6 7 12 1
7 7 13 2
8 8 14 1
9 9 15 1
10 11 16 1
11 12 17 1
12 12 18 1 #Up
13 12 19 1 #Down
14 13 20 1
15 15 21 1
16 15 22 2
17 16 23 1
18 16 24 2
19 17 25 1
20 18 26 1
21 20 27 1
22 14 28 1
23 14 29 1
24 25 30 1
25 26 31 1
26 26 32 2
27 27 33 1
28 28 34 1
29 28 35 1 #Up
30 29 36 2
31 30 37 1
32 33 38 1
33 33 39 1
34 34 40 1 #Down
35 35 41 1
36 36 42 1
37 37 43 1
38 37 44 2
39 38 45 2
40 38 46 1
41 39 47 2
42 40 48 1
43 41 49 1
44 41 50 2
45 45 51 1
46 46 52 1
47 48 53 1
48 51 54 1
49 52 55 1
50 52 56 2
51 53 57 1
52 53 58 2
53 54 59 1
54 59 60 1
55 59 61 2
56 5 8 1
57 17 20 2
58 34 36 1
59 42 47 1
60 45 47 1
61 1 2 1
62 1 3 2
63 34 63 1 #Up
64 1 4 1
65 2 5 1
66 33 64 1 #Down
67 4 62 1
68 8 65 1 #Down
69 2 6 1 #Down
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