| Entry |
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| Name |
Cobyrinate;
Cobyrinic acid;
Cob(II)yrinate;
Cob(II)yrinic acid
|
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| Formula |
C45H59CoN4O14
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| Exact mass |
938.336
|
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| Mol weight |
938.9016
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| Structure |
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| Reaction |
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| Pathway |
|
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| Module |
| M00924 | Cobalamin biosynthesis, anaerobic, uroporphyrinogen III => sirohydrochlorin => cobyrinate a,c-diamide |
|
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| Enzyme |
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| Other DBs |
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| KCF data |
ATOM 64
1 C2y C 36.2090 -20.2417
2 C1y C 35.0271 -19.6118
3 C2y C 37.4314 -19.7858
4 N1y N 35.9955 -21.5533
5 C1z C 34.0586 -20.5522
6 C1b C 35.0442 -18.2776
7 C2y C 38.6188 -20.2869
8 C1z C 34.6726 -21.7622
9 C1b C 32.6301 -19.7826
10 C1a C 32.9778 -17.5191
11 C1b C 33.8893 -17.6016
12 C1z C 39.7667 -19.6063
13 N2x N 38.9000 -21.5929
14 C1y C 34.6783 -24.2100
15 C6a C 31.2617 -20.2604
16 C6a C 33.9062 -16.2721
17 C1y C 40.7691 -20.4958
18 C1b C 39.7611 -18.2552
19 C1a C 41.0410 -18.9538
20 C2y C 40.2285 -21.7170
21 O6a O 31.3324 -21.4903
22 O6a O 30.0348 -19.4410
23 O6a O 33.2415 -15.0713
24 O6a O 35.0723 -15.6149
25 C1b C 42.1033 -20.4902
26 C6a C 40.9215 -17.5847
27 C2x C 40.7297 -22.9553
28 C1y C 34.0586 -25.4160
29 N2x N 35.9899 -24.4080
30 C1b C 42.7625 -19.3241
31 O6a O 40.9215 -16.2561
32 O6a O 42.0807 -18.2495
33 C2y C 40.1946 -24.1879
34 C1z C 35.0216 -26.3392
35 C1b C 32.7470 -25.6293
36 C2y C 36.2034 -25.7310
37 C6a C 44.1023 -19.3128
38 C1z C 40.7748 -25.4105
39 N2x N 38.8716 -24.3742
40 C1b C 35.0103 -27.6792
41 C6a C 32.2798 -26.8732
42 C2y C 37.4314 -26.1868
43 O6a O 44.7605 -18.1536
44 O6a O 44.7773 -20.4732
45 C1y C 39.8006 -26.3168
46 C1a C 42.1251 -25.4447
47 C2y C 38.6300 -25.6858
48 C1b C 33.8397 -28.3485
49 O6a O 30.9682 -27.0990
50 O6a O 33.1239 -27.9039
51 C1b C 39.8076 -27.5497
52 C6a C 33.8342 -29.6940
53 C1b C 41.1516 -28.2030
54 O6a O 32.6794 -30.3531
55 O6a O 34.9820 -30.3644
56 C6a C 41.1053 -29.6053
57 O6a O 40.2731 -30.4319
58 O6a O 42.5369 -30.2186
59 Z Co 37.3521 -23.0463 #+
60 C1a C 36.2479 -28.1999
61 C1a C 33.5191 -22.4461
62 C1a C 37.4587 -27.5369
63 C1a C 37.4600 -18.4358
64 C1a C 41.4374 -26.5725
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
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