| Entry |
|
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| Name |
Adenosyl cobinamide;
Adenosylcobinamide
|
|---|
| Formula |
C58H84CoN16O11
|
|---|
| Exact mass |
1239.5837
|
|---|
| Mol weight |
1240.3214
|
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| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
|
|---|
| Module |
| M00122 | Cobalamin biosynthesis, cobyrinate a,c-diamide => cobalamin |
|
|---|
| Enzyme |
|
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| Other DBs |
|
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| KCF data |
ATOM 86
1 Z Co 24.2835 -19.5623 #+
2 N1y N 22.8865 -18.2263
3 N2x N 22.8805 -21.0385
4 N2x N 25.7475 -18.2689
5 N2x N 25.7109 -21.0019
6 C1b C 28.9622 -18.9961
7 C1z C 21.5873 -18.4398
8 C2y C 23.1062 -16.9453
9 C1y C 21.5873 -20.8494
10 C2y C 23.0940 -22.3377
11 C2y C 25.4669 -16.9818
12 C2y C 27.0529 -18.3910
13 C2y C 25.4792 -22.2888
14 C2y C 27.0224 -20.8310
15 C1y C 30.2493 -19.9891
16 C1z C 20.9894 -17.2503
17 C1a C 20.3002 -18.7752
18 C1y C 21.9349 -16.3292
19 C2y C 24.2957 -16.4939
20 C1y C 20.9894 -22.0205
21 C1z C 21.9349 -22.9416
22 C2y C 24.2957 -22.7953
23 C1z C 26.6076 -16.3230
24 C1y C 27.5836 -17.1893
25 C2x C 27.5470 -19.6111
26 C1y C 26.6258 -22.9172
27 C1z C 27.5898 -22.0145
28 O2x O 31.3291 -19.2023
29 C1y C 30.6703 -21.2640
30 C1b C 18.6340 -17.3781
31 C1a C 20.6418 -15.9754
32 C1b C 21.9593 -15.0177
33 C1a C 24.2897 -15.1641
34 C1b C 19.7024 -22.2402
35 C1b C 21.9227 -24.2531
36 C1a C 23.7454 -25.7910
37 C1a C 24.2897 -24.1129
38 C1b C 26.6016 -14.9994
39 C1a C 24.9827 -13.6076
40 C1b C 28.9011 -17.1831
41 C1b C 26.7601 -24.2287
42 C1a C 28.7885 -20.9789
43 C1a C 28.0777 -23.2588
44 C1y C 32.4393 -20.0379
45 C1y C 32.0245 -21.2640
46 O1a O 30.2311 -22.5512
47 C5a C 17.5613 -16.1035
48 C1b C 20.8309 -14.3527
49 C5a C 19.2448 -23.4663
50 C1b C 20.7699 -24.9119
51 C5a C 27.7361 -14.3345
52 C1b C 29.5479 -16.0424
53 C1b C 27.9558 -24.7716
54 N4y N 33.6959 -19.6293
55 O1a O 32.6649 -22.3743
56 N1a N 16.1859 -16.0973
57 O5a O 18.0224 -14.9110
58 C5a C 20.8431 -13.0413
59 N1a N 17.9516 -23.6736
60 O5a O 20.0683 -24.4727
61 C5a C 20.7637 -26.2295
62 N1a N 27.7300 -13.0229
63 O5a O 28.8769 -14.9932
64 C5a C 30.8593 -16.0364
65 C5a C 28.0777 -26.0770
66 C8y C 34.7391 -20.3491
67 C8x C 34.1655 -18.2689
68 N1a N 19.7145 -12.3703
69 O5a O 21.9899 -12.3946
70 N1b N 19.6352 -26.8823
71 O5a O 21.8923 -26.8945
72 N1a N 31.5120 -14.8956
73 O5a O 31.5242 -17.1771
74 N1a N 27.0102 -26.8274
75 O5a O 29.2916 -26.6199
76 C8y C 35.9468 -19.4706
77 N5x N 34.8671 -21.7399
78 N5x N 35.5808 -18.2751
79 C1b C 19.6352 -28.2426
80 C8y C 37.1729 -20.0135
81 C8x C 36.1665 -22.3132
82 C1c C 18.4519 -28.9318
83 N5x N 37.3315 -21.4593
84 N1a N 38.2527 -19.2084
85 C1a C 17.2807 -28.2486
86 O1a O 18.4519 -30.2860
BOND 93
1 1 2 1
2 1 6 1
3 2 7 1
4 2 8 1
5 3 9 1
6 3 10 2
7 4 11 2
8 4 12 1
9 5 13 1
10 5 14 2
11 15 6 1 #Up
12 7 16 1
13 7 17 1 #Down
14 8 18 1
15 8 19 2
16 9 20 1
17 10 21 1
18 10 22 1
19 11 23 1
20 12 24 1
21 12 25 2
22 13 26 1
23 14 27 1
24 15 28 1
25 15 29 1
26 16 30 1 #Up
27 16 31 1 #Down
28 18 32 1 #Down
29 19 33 1
30 20 34 1 #Up
31 21 35 1 #Down
32 21 36 1 #Up
33 22 37 1
34 23 38 1 #Up
35 23 39 1 #Down
36 24 40 1 #Down
37 26 41 1 #Down
38 27 42 1
39 27 43 1
40 28 44 1
41 29 45 1
42 29 46 1 #Down
43 30 47 1
44 32 48 1
45 34 49 1
46 35 50 1
47 38 51 1
48 40 52 1
49 41 53 1
50 44 54 1 #Up
51 45 55 1 #Down
52 47 56 1
53 47 57 2
54 48 58 1
55 49 59 1
56 49 60 2
57 50 61 1
58 51 62 1
59 51 63 2
60 52 64 1
61 53 65 1
62 54 66 1
63 54 67 1
64 58 68 1
65 58 69 2
66 61 70 1
67 61 71 2
68 64 72 1
69 64 73 2
70 65 74 1
71 65 75 2
72 66 76 2
73 66 77 1
74 67 78 2
75 70 79 1
76 76 80 1
77 77 81 2
78 79 82 1
79 80 83 2
80 80 84 1
81 82 85 1 #Down
82 82 86 1
83 7 9 1
84 11 19 1
85 13 22 2
86 14 25 1
87 16 18 1
88 20 21 1
89 23 24 1
90 26 27 1
91 44 45 1
92 76 78 1
93 81 83 1
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