| Entry |
|
|---|
| Name |
Cob(II)yrinate a,c diamide;
Cob(II)yrinate diamide;
Cob(II)yrinic acid a,c-diamide;
Cobyrinate a,c-diamide;
Cobyrinic acid a,c-diamide
|
|---|
| Formula |
C45H61CoN6O12
|
|---|
| Exact mass |
936.3679
|
|---|
| Mol weight |
936.932
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
|
|---|
| Module |
| M00122 | Cobalamin biosynthesis, cobyrinate a,c-diamide => cobalamin |
| M00924 | Cobalamin biosynthesis, anaerobic, uroporphyrinogen III => sirohydrochlorin => cobyrinate a,c-diamide |
| M00925 | Cobalamin biosynthesis, aerobic, uroporphyrinogen III => precorrin 2 => cobyrinate a,c-diamide |
|
|---|
| Enzyme |
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 64
1 C2y C 30.6741 -29.4000
2 C1y C 29.4923 -28.7701
3 C2y C 31.8965 -28.9441
4 N1y N 30.4606 -30.7116
5 C1z C 28.5237 -29.7105
6 C1b C 29.5093 -27.4359
7 C2y C 33.0839 -29.4452
8 C1z C 29.1377 -30.9205
9 C1b C 27.0952 -28.9409
10 C1a C 27.4429 -26.6774
11 C1b C 28.3545 -26.7599
12 C1z C 34.2318 -28.7646
13 N2x N 33.3651 -30.7512
14 C1y C 29.1434 -33.3683
15 C5a C 25.7268 -29.4187
16 C6a C 28.3713 -25.4304
17 C1y C 35.2342 -29.6541
18 C1b C 34.2262 -27.4135
19 C1a C 35.5061 -28.1121
20 C2y C 34.6936 -30.8753
21 N1a N 25.7975 -30.6486
22 O5a O 24.5000 -28.5993
23 O6a O 27.7066 -24.2296
24 O6a O 29.5374 -24.7732
25 C1b C 36.5684 -29.6485
26 C5a C 35.3866 -26.7430
27 C2x C 35.1948 -32.1136
28 C1y C 28.5237 -34.5743
29 N2x N 30.4551 -33.5663
30 C1b C 37.2276 -28.4824
31 N1a N 35.3866 -25.4144
32 O5a O 36.5459 -27.4078
33 C2y C 34.6597 -33.3462
34 C1z C 29.4867 -35.4975
35 C1b C 27.2121 -34.7876
36 C2y C 30.6685 -34.8892
37 C6a C 38.5674 -28.4711
38 C1z C 35.2400 -34.5688
39 N2x N 33.3368 -33.5324
40 C1b C 29.4754 -36.8375
41 C6a C 26.7449 -36.0315
42 C2y C 31.8965 -35.3451
43 O6a O 39.2256 -27.3119
44 O6a O 39.2424 -29.6315
45 C1y C 34.2657 -35.4751
46 C1a C 36.5902 -34.6030
47 C2y C 33.0952 -34.8441
48 C1b C 28.3049 -37.5068
49 O6a O 25.4333 -36.2573
50 O6a O 27.5891 -37.0622
51 C1b C 34.2727 -36.7080
52 C6a C 28.2993 -38.8523
53 C1b C 35.6168 -37.3612
54 O6a O 27.1445 -39.5114
55 O6a O 29.4471 -39.5227
56 C6a C 35.5704 -38.7636
57 O6a O 34.7383 -39.5902
58 O6a O 37.0020 -39.3769
59 Z Co 31.8173 -32.2046 #+
60 C1a C 30.8531 -38.1982
61 C1a C 27.9842 -31.6044
62 C1a C 31.9238 -36.6952
63 C1a C 31.9251 -27.5940
64 C1a C 35.9026 -35.7308
BOND 68
1 5 9 1 #Up
2 5 10 1 #Down
3 6 11 1
4 7 12 1
5 7 13 2
6 8 14 1
7 9 15 1
8 11 16 1
9 12 17 1
10 12 18 1 #Up
11 12 19 1 #Down
12 13 20 1
13 15 21 1
14 15 22 2
15 16 23 1
16 16 24 2
17 17 25 1 #Down
18 18 26 1
19 20 27 2
20 14 28 1
21 14 29 1
22 25 30 1
23 26 31 1
24 26 32 2
25 27 33 1
26 28 34 1
27 28 35 1 #Up
28 29 36 2
29 30 37 1
30 33 38 1
31 33 39 2
32 34 40 1 #Down
33 35 41 1
34 36 42 1
35 37 43 1
36 37 44 2
37 38 45 1
38 38 46 1
39 39 47 1
40 40 48 1
41 41 49 1
42 41 50 2
43 45 51 1 #Down
44 48 52 1
45 51 53 1
46 52 54 1
47 52 55 2
48 53 56 1
49 56 57 1
50 56 58 2
51 5 8 1
52 17 20 1
53 34 36 1
54 42 47 2
55 45 47 1
56 1 2 1
57 1 3 2
58 34 60 1 #Up
59 1 4 1
60 2 5 1
61 4 59 1
62 8 61 1 #Down
63 2 6 1 #Down
64 42 62 1
65 3 7 1
66 3 63 1
67 4 8 1
68 38 64 1
|
|---|
