| Entry |
|
|---|
| Name |
|
|---|
| Formula |
C44H50CoN4O16
|
|---|
| Exact mass |
949.2554
|
|---|
| Mol weight |
949.8182
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
|
|---|
| Module |
| M00924 | Cobalamin biosynthesis, anaerobic, uroporphyrinogen III => sirohydrochlorin => cobyrinate a,c-diamide |
|
|---|
| Enzyme |
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 65
1 C2y C 30.2176 -29.2252
2 C1y C 29.0462 -28.6009
3 C2x C 31.4293 -28.7734
4 N1y N 30.0060 -30.5253
5 C1z C 28.0862 -29.5330
6 C1b C 29.0631 -27.2784
7 C2y C 32.6062 -29.2700
8 C1z C 28.6948 -30.7323
9 C1x C 26.7447 -28.4928
10 C1a C 27.1502 -27.0065
11 C1b C 27.9184 -26.6083
12 C1z C 33.7440 -28.5954
13 N2x N 32.8849 -30.5646
14 C2y C 28.7004 -33.1586
15 C7x C 25.9223 -29.0343
16 C6a C 27.9351 -25.2906
17 C1y C 34.7376 -29.4770
18 C1b C 33.7385 -27.2562
19 C1a C 32.2963 -27.6174
20 C2y C 34.2017 -30.6875
21 O7x O 25.3163 -30.6590
22 O6a O 25.1119 -27.6811
23 O6a O 26.8030 -24.6210
24 O6a O 29.0910 -24.6392
25 C1b C 36.0601 -29.4715
26 C6a C 34.8887 -26.5916
27 C2x C 34.6985 -31.9149
28 C2y C 28.0862 -34.3540
29 N2x N 30.0005 -33.3549
30 C1b C 36.7135 -28.3157
31 O6a O 34.8887 -25.2747
32 O6a O 36.0377 -27.2505
33 C8y C 34.1682 -33.1367
34 C1z C 29.0407 -35.2691
35 C1b C 26.7861 -34.5654
36 C2y C 30.2121 -34.6662
37 C6a C 38.0415 -28.3045
38 C8y C 34.7433 -34.3485
39 N4y N 32.8569 -33.3213
40 C1b C 29.0295 -36.5972
41 C6a C 26.3230 -35.7983
42 C1x C 31.4293 -35.1180
43 O6a O 38.6939 -27.1554
44 O6a O 38.7106 -29.4546
45 C8y C 33.7776 -35.2468
46 C1b C 36.0209 -33.9971
47 C8y C 32.6174 -34.6214
48 C1b C 27.8693 -37.2606
49 O6a O 25.0230 -36.0222
50 O6a O 27.1598 -36.8200
51 C1b C 33.7780 -36.4080
52 C6a C 36.9586 -34.9167
53 C6a C 27.8637 -38.5943
54 C1b C 34.6572 -36.8122
55 O6a O 38.2363 -34.5711
56 O6a O 36.6296 -36.2069
57 O6a O 26.7191 -39.2477
58 O6a O 29.0014 -39.2589
59 C6a C 34.6586 -38.0333
60 O6a O 33.5769 -38.5753
61 O6a O 35.9425 -38.4382
62 C1y C 27.1456 -31.6794
63 C1a C 30.1912 -36.6296
64 C1a C 26.0516 -33.1097
65 Z Co 31.3600 -31.9900
BOND 71
1 2 5 1
2 2 6 1 #Down
3 3 7 1
4 4 8 1
5 5 9 1 #Up
6 5 10 1 #Down
7 6 11 1
8 7 12 1
9 7 13 2
10 8 14 1
11 9 15 1
12 11 16 1
13 12 17 1
14 12 18 1 #Up
15 12 19 1 #Down
16 13 20 1
17 15 21 1
18 15 22 2
19 16 23 1
20 16 24 2
21 17 25 1 #Down
22 18 26 1
23 20 27 2
24 14 28 2
25 14 29 1
26 25 30 1
27 26 31 1
28 26 32 2
29 27 33 1
30 28 34 1
31 28 35 1
32 29 36 2
33 30 37 1
34 33 38 2
35 33 39 1
36 34 40 1 #Down
37 35 41 1
38 36 42 1
39 37 43 1
40 37 44 2
41 38 45 1
42 38 46 1
43 39 47 1
44 40 48 1
45 41 49 1
46 41 50 2
47 45 51 1
48 46 52 1
49 48 53 1
50 51 54 1
51 52 55 1
52 52 56 2
53 53 57 1
54 53 58 2
55 54 59 1
56 59 60 1
57 59 61 2
58 5 8 1
59 17 20 1
60 34 36 1
61 42 47 1
62 45 47 2
63 1 2 1
64 1 3 2
65 34 63 1 #Up
66 62 21 1
67 1 4 1
68 62 64 1
69 62 8 1
70 39 65 1
71 4 65 1
|
|---|
