Entry |
|
Name |
Adenosyl cobyrinate hexaamide;
Adenosylcobyric acid
|
Formula |
C55H77CoN15O11
|
Exact mass |
1182.5259
|
Mol weight |
1183.227
|
Structure |
|
Reaction |
|
Pathway |
|
Module |
M00122 | Cobalamin biosynthesis, cobyrinate a,c-diamide => cobalamin |
|
Enzyme |
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 82
1 Z Co 28.2000 -31.8930 #+
2 N1y N 26.8003 -30.5566
3 N2x N 26.7944 -33.3618
4 N2x N 29.6516 -30.5968
5 N2x N 29.6227 -33.3272
6 C1b C 32.8658 -31.8873
7 C1z C 25.4983 -30.7697
8 C2y C 27.0191 -29.2719
9 C1y C 25.4983 -33.1717
10 C2y C 27.0076 -34.6636
11 C2y C 29.3750 -29.3180
12 C2y C 30.9650 -30.7236
13 C2y C 29.3865 -34.6175
14 C2y C 30.9304 -33.1602
15 C1y C 34.1505 -32.3134
16 C1z C 24.9051 -29.5773
17 C1a C 24.2138 -31.1038
18 C1y C 25.8498 -28.6614
19 C2y C 28.2115 -28.8284
20 C1y C 24.8992 -34.3469
21 C1z C 25.8439 -35.2685
22 C2y C 28.2115 -35.1130
23 C1z C 30.5156 -28.6557
24 C1y C 31.4892 -29.5197
25 C2x C 31.4488 -31.9391
26 C1y C 30.5328 -35.2455
27 C1z C 31.4892 -34.3411
28 O2x O 35.2276 -31.5358
29 C1y C 34.5709 -33.5922
30 C1b C 23.5974 -29.5658
31 C1a C 24.5595 -28.3042
32 C1b C 25.8670 -27.3539
33 C1a C 28.2000 -27.4979
34 C1b C 23.6148 -34.5657
35 C1b C 25.8324 -36.5760
36 C1a C 27.7298 -37.9768
37 C1a C 28.2000 -36.4320
38 C1b C 30.5098 -27.3308
39 C1a C 28.6769 -25.6557
40 C1b C 32.8025 -29.5140
41 C1b C 30.6655 -36.5473
42 C1a C 32.4821 -33.2313
43 C1a C 31.9788 -35.5796
44 C1y C 36.3393 -32.3710
45 C1y C 35.9188 -33.5922
46 O1a O 34.1331 -34.8768
47 C5a C 22.9466 -28.4367
48 C1b C 24.7437 -26.6857
49 C5a C 23.1539 -35.7927
50 C1b C 24.6861 -37.2329
51 C5a C 31.6447 -26.6683
52 C1b C 33.4477 -28.3734
53 C1b C 31.8636 -37.0887
54 N4y N 37.5950 -31.9563
55 O1a O 36.5640 -34.6982
56 N1a N 21.6448 -28.4252
57 O5a O 23.6148 -27.3078
58 C5a C 24.7553 -25.3837
59 N1a N 21.8693 -36.0000
60 O5a O 23.9776 -36.7892
61 C6a C 24.6804 -38.5519
62 N1a N 31.6389 -25.3550
63 O5a O 32.7795 -27.3250
64 C5a C 34.7610 -28.3677
65 C5a C 31.9845 -38.3964
66 C8y C 38.6378 -32.6821
67 C8x C 38.0674 -30.5968
68 N1a N 23.6263 -24.7098
69 O5a O 25.8959 -24.7329
70 O6a O 23.5456 -39.2029
71 O6a O 25.8037 -39.2144
72 N1a N 35.4119 -27.2271
73 O5a O 35.4234 -29.5025
74 N1a N 30.9130 -39.1509
75 O5a O 33.1884 -38.9378
76 C8y C 39.8417 -31.7951
77 N5x N 38.7702 -34.0703
78 N5x N 39.4787 -30.6027
79 C8y C 41.0685 -32.3365
80 C8x C 40.0605 -34.6406
81 N5x N 41.2240 -33.7881
82 N1a N 42.1515 -31.5301
BOND 89
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 76 79 1
76 77 80 2
77 79 81 2
78 79 82 1
79 7 9 1
80 11 19 1
81 13 22 2
82 14 25 1
83 16 18 1
84 20 21 1
85 23 24 1
86 26 27 1
87 44 45 1
88 76 78 1
89 80 81 1
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