| Entry |
|
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| Name |
Cob(II)alamin;
Vitamin B12r
|
|---|
| Formula |
C62H88CoN13O14P
|
|---|
| Exact mass |
1328.5643
|
|---|
| Mol weight |
1329.35
|
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| Structure |
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| Reaction |
|
|---|
| Pathway |
| map04980 | Cobalamin transport and metabolism |
|
|---|
| Network |
nt06538 Cobalamin transport and metabolism |
|---|
| Enzyme |
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|---|
| Other DBs |
|
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| LinkDB |
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| KCF data |
ATOM 91
1 Z Co 27.8866 -16.8147 #+
2 N2x N 26.5576 -15.5535
3 N1y N 26.5576 -18.2112
4 N2x N 29.2604 -15.5985
5 N2x N 29.2304 -18.1811
6 N5x N 30.0004 -26.9382
7 C1z C 25.3341 -15.7485
8 C2y C 26.7754 -14.3373
9 C1y C 25.3341 -18.0309
10 C2y C 26.7603 -19.4348
11 C2y C 28.9976 -14.3747
12 C2y C 30.5066 -15.7111
13 C2y C 29.0127 -19.3897
14 C2y C 30.4766 -18.0159
15 C8y C 31.1641 -27.3061
16 C8x C 29.2871 -27.9293
17 C1z C 24.7708 -14.6299
18 C1a C 24.1177 -16.0790
19 C1y C 25.6643 -13.7590
20 C2y C 27.8940 -13.9169
21 C1y C 24.7708 -19.1345
22 C1z C 25.6643 -20.0130
23 C2y C 27.8940 -19.8702
24 C1z C 30.0788 -13.7590
25 C1y C 31.0022 -14.5774
26 C2x C 30.9647 -16.8598
27 C1y C 30.0938 -19.9830
28 C1z C 31.0022 -19.1345
29 C8y C 31.1565 -28.5299
30 C8x C 32.2152 -26.7055
31 N4y N 30.0004 -28.9127
32 C1b C 21.9222 -14.6225
33 C1a C 24.4405 -13.4213
34 C1b C 25.6868 -12.5204
35 C1a C 27.8866 -12.6630
36 C1b C 23.4345 -19.2621
37 C1b C 25.2993 -22.2242
38 C1a C 26.5631 -22.7707
39 C1a C 27.8866 -21.1090
40 C1b C 30.0712 -12.5054
41 C1a C 28.6674 -11.4064
42 C1b C 32.2484 -14.5700
43 C1b C 30.2214 -21.2216
44 C1a C 32.2033 -18.8193
45 C1a C 31.4600 -20.3056
46 C8x C 32.2152 -29.1380
47 C8y C 33.2738 -27.3061
48 C1y C 24.4086 -31.0958
49 C5a C 21.3141 -13.5489
50 C1b C 24.6208 -11.8973
51 C5a C 22.9990 -20.4108
52 C1b C 24.0781 -22.5673
53 C5a C 31.1448 -11.8823
54 C1b C 32.8491 -13.4888
55 C1b C 31.3475 -21.7321
56 C8y C 33.2738 -28.5299
57 C1a C 34.3323 -26.7055
58 C1y C 24.0407 -29.9247
59 O2x O 23.3499 -31.6965
60 N1a N 20.0753 -13.5339
61 O5a O 21.9372 -12.4827
62 C5a C 24.6358 -10.6511
63 N1a N 21.7754 -20.6135
64 O5a O 23.7800 -21.3568
65 C5a C 24.0707 -23.8136
66 N1a N 31.1374 -10.6361
67 O5a O 32.2260 -12.4978
68 C5a C 34.0953 -13.4814
69 C5a C 31.4677 -22.9633
70 C1a C 34.3323 -29.1380
71 C1y C 22.8095 -29.9097
72 O1a O 24.7689 -28.9487
73 C1y C 22.4341 -31.0658
74 N1a N 23.5623 -10.0277
75 O5a O 25.7168 -10.0428
76 N1b N 22.9971 -24.4367
77 O5a O 25.1293 -24.4443
78 N1a N 34.7110 -12.4002
79 O5a O 34.7258 -14.5624
80 N1a N 30.4542 -23.6766
81 O5a O 32.6087 -23.4815
82 O2b O 22.1036 -28.9112
83 C1b C 21.1803 -31.4862
84 C1b C 22.9971 -25.7206
85 P1b P 20.7448 -28.3106
86 O1a O 20.9251 -32.7775
87 C1c C 21.8785 -26.3661
88 O2b O 21.8859 -27.6500
89 O1c O 19.6038 -27.6500 #-
90 O1c O 19.8139 -29.2415
91 C1a C 20.7749 -25.7206
BOND 98
1 1 3 1
2 2 7 1
3 2 8 2
4 3 9 1
5 3 10 1
6 4 11 1
7 4 12 2
8 5 13 2
9 5 14 1
10 6 15 1
11 6 16 2
12 7 17 1
13 7 18 1 #Down
14 8 19 1
15 8 20 1
16 9 21 1
17 10 22 1
18 10 23 2
19 11 24 1
20 12 25 1
21 12 26 1
22 13 27 1
23 14 28 1
24 15 29 2
25 15 30 1
26 16 31 1
27 17 32 1 #Up
28 17 33 1 #Down
29 19 34 1 #Down
30 20 35 1
31 21 36 1 #Up
32 22 37 1 #Down
33 22 38 1 #Up
34 23 39 1
35 24 40 1 #Up
36 24 41 1 #Down
37 25 42 1 #Down
38 27 43 1 #Down
39 28 44 1
40 28 45 1
41 29 46 1
42 30 47 2
43 48 31 1 #Up
44 32 49 1
45 34 50 1
46 36 51 1
47 37 52 1
48 40 53 1
49 42 54 1
50 43 55 1
51 46 56 2
52 47 57 1
53 48 58 1
54 48 59 1
55 49 60 1
56 49 61 2
57 50 62 1
58 51 63 1
59 51 64 2
60 52 65 1
61 53 66 1
62 53 67 2
63 54 68 1
64 55 69 1
65 56 70 1
66 58 71 1
67 58 72 1 #Up
68 73 59 1
69 62 74 1
70 62 75 2
71 65 76 1
72 65 77 2
73 68 78 1
74 68 79 2
75 69 80 1
76 69 81 2
77 71 82 1 #Up
78 73 83 1 #Down
79 76 84 1
80 82 85 1
81 83 86 1
82 84 87 1
83 85 88 1
84 85 89 1
85 85 90 2
86 87 91 1 #Down
87 7 9 1
88 11 20 2
89 13 23 1
90 14 26 2
91 17 19 1
92 21 22 1
93 24 25 1
94 27 28 1
95 29 31 1
96 47 56 1
97 71 73 1
98 87 88 1
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