Entry |
|
Name |
Vitamin B12;
Cobalamin (III);
Cob(III)alamin
|
Formula |
C62H88CoN13O14PR
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Structure |
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Remark |
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Reaction |
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Pathway |
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Enzyme |
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Brite |
Compounds with biological roles [BR:br08001]
Vitamins and cofactors
Vitamins
Water-soluble vitamins
C05776 Cobalamin(III) (Vitamin B12)
Risk category of Japanese OTC drugs [BR:br08312]
Third-class OTC drugs
Inorganic and organic chemicals
Cyanocobalamin
D00191 Vitamin B12
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Other DBs |
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LinkDB |
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KCF data |
ATOM 92
1 Z Co 23.0566 -15.4147 #+
2 N2x N 21.7276 -14.1535
3 N1y N 21.7276 -16.8112
4 N2x N 24.4304 -14.1985
5 N2x N 24.4004 -16.7811
6 N5x N 25.1704 -25.5382
7 C1z C 20.5041 -14.3485
8 C2y C 21.9454 -12.9373
9 C1y C 20.5041 -16.6309
10 C2y C 21.9303 -18.0348
11 C2y C 24.1676 -12.9747
12 C2y C 25.6766 -14.3111
13 C2y C 24.1827 -17.9897
14 C2y C 25.6466 -16.6159
15 C8y C 26.3341 -25.9061
16 C8x C 24.4571 -26.5293
17 C1z C 19.9408 -13.2299
18 C1a C 19.2877 -14.6790
19 C1y C 20.8343 -12.3590
20 C2y C 23.0640 -12.5169
21 C1y C 19.9408 -17.7345
22 C1z C 20.8343 -18.6130
23 C2y C 23.0640 -18.4702
24 C1z C 25.2488 -12.3590
25 C1y C 26.1722 -13.1774
26 C2x C 26.1347 -15.4598
27 C1y C 25.2638 -18.5830
28 C1z C 26.1722 -17.7345
29 C8y C 26.3265 -27.1299
30 C8x C 27.3852 -25.3055
31 N4y N 25.1704 -27.5127
32 C1b C 17.0922 -13.2225
33 C1a C 19.6105 -12.0213
34 C1b C 20.8568 -11.1204
35 C1a C 23.0566 -11.2630
36 C1b C 18.6045 -17.8621
37 C1b C 20.4693 -20.8242
38 C1a C 21.7331 -21.3707
39 C1a C 23.0566 -19.7090
40 C1b C 25.2412 -11.1054
41 C1a C 23.8374 -10.0064
42 C1b C 27.4184 -13.1700
43 C1b C 25.3914 -19.8216
44 C1a C 27.3733 -17.4193
45 C1a C 26.6300 -18.9056
46 C8x C 27.3852 -27.7380
47 C8y C 28.4438 -25.9061
48 C1y C 19.5786 -29.6958
49 C5a C 16.4841 -12.1489
50 C1b C 19.7908 -10.4973
51 C5a C 18.1690 -19.0108
52 C1b C 19.2481 -21.1673
53 C5a C 26.3148 -10.4823
54 C1b C 28.0191 -12.0888
55 C1b C 26.8675 -20.1921
56 C8y C 28.4438 -27.1299
57 C1a C 29.5023 -25.3055
58 C1y C 19.2107 -28.5247
59 O2x O 18.5199 -30.2965
60 N1a N 15.2453 -12.1339
61 O5a O 17.1072 -11.0827
62 C5a C 19.8058 -9.2511
63 N1a N 16.9454 -19.2135
64 O5a O 18.9500 -19.9568
65 C5a C 19.2407 -22.4136
66 N1a N 26.3074 -9.2361
67 O5a O 27.3960 -11.0978
68 C5a C 29.2653 -12.0814
69 C5a C 27.2677 -21.5633
70 C1a C 29.5023 -27.7380
71 C1y C 17.9795 -28.5097
72 O1a O 19.9389 -27.5487
73 C1y C 17.6041 -29.6658
74 N1a N 18.7323 -8.6277
75 O5a O 20.8868 -8.6428
76 N1b N 18.1671 -23.0367
77 O5a O 20.2993 -23.0443
78 N1a N 29.8810 -11.0002
79 O5a O 29.8958 -13.1624
80 N1a N 26.2542 -22.2766
81 O5a O 28.4087 -22.0815
82 O2b O 17.2736 -27.5112
83 C1b C 16.3503 -30.0862
84 C1b C 18.1671 -24.3206
85 P1b P 15.9148 -26.9106
86 O1a O 16.0951 -31.3775
87 C1c C 17.0485 -24.9661
88 O2b O 17.0559 -26.2500
89 O1c O 14.7738 -26.2500 #-
90 O1c O 14.9839 -27.8415
91 C1a C 15.9449 -24.3206
92 R R 28.1189 -14.8424
BOND 99
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
99 1 92 1
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