 | | COMPOUND: C06406 | |
| Entry |
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| Name |
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| Formula |
C43H50N4O17
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| Exact mass |
894.3171
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| Mol weight |
894.8737
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| Structure |
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| Reaction |
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| Pathway |
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| Module |
| M00925 | Cobalamin biosynthesis, aerobic, uroporphyrinogen III => precorrin 2 => cobyrinate a,c-diamide |
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| Enzyme |
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| Other DBs |
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| KCF data |
ATOM 64
1 C1z C 24.9252 -17.6981
2 C1z C 24.2951 -16.4436
3 C1z C 24.2658 -18.9758
4 N1x N 26.3022 -17.4822
5 O7x O 22.9297 -17.2020
6 C1y C 25.2927 -15.4634
7 C1x C 23.4549 -15.5858
8 C1a C 24.5051 -14.5416
9 C8y C 24.9252 -20.2478
10 C1a C 23.2739 -19.9561
11 O1a O 22.9238 -18.6199
12 C2y C 26.5298 -16.1226
13 C7x C 22.2470 -16.0116
14 C1b C 25.3160 -14.0805
15 C8y C 24.2951 -21.4964
16 N4x N 26.3022 -20.4521
17 C2x C 27.7958 -15.6500
18 O6a O 20.9050 -15.6441
19 C1b C 24.1199 -13.3745
20 C8y C 25.2869 -22.4533
21 C1b C 22.9297 -21.7181
22 C8y C 26.5181 -21.8232
23 C2y C 29.0328 -16.1636
24 C6a C 24.1375 -11.9859
25 C1b C 25.2753 -23.8419
26 C6a C 22.4395 -23.0135
27 C1x C 27.7958 -22.2957
28 C1z C 30.2230 -15.4575
29 N2x N 29.3186 -17.5230
30 O6a O 22.9414 -11.2799
31 O6a O 25.3453 -11.3033
32 C1b C 24.0617 -24.5421
33 O6a O 21.0801 -23.2409
34 O6a O 23.3206 -24.0812
35 C8y C 29.0445 -21.7764
36 C1y C 31.2675 -16.3795
37 C1b C 30.7830 -14.2671
38 C1a C 29.3070 -14.2033
39 C2y C 30.7015 -17.6571
40 C6a C 24.0558 -25.9365
41 C8y C 30.2580 -22.4299
42 N4x N 29.2895 -20.4170
43 C1b C 32.6503 -16.3735
44 C6a C 31.9791 -13.5729
45 C2x C 31.2266 -18.9409
46 O6a O 22.8597 -26.6250
47 O6a O 25.2519 -26.6367
48 C8y C 31.2733 -21.4907
49 C1b C 30.3922 -23.8069
50 C8y C 30.6665 -20.2245
51 C1b C 33.3388 -15.1717
52 O6a O 31.9734 -12.1842
53 O6a O 33.1928 -14.2556
54 C1b C 32.6095 -21.1230
55 C1b C 31.6584 -24.3903
56 C6a C 34.7274 -15.1600
57 C6a C 33.5897 -22.0915
58 C6a C 31.7926 -25.7733
59 O6a O 35.4159 -13.9463
60 O6a O 35.4334 -16.3619
61 O6a O 34.9317 -21.7240
62 O6a O 33.2454 -23.4394
63 O6a O 30.6491 -26.5668
64 O6a O 33.0645 -26.3509
BOND 69
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1 #Up
7 2 8 1 #Down
8 3 9 1
9 3 10 1 #Up
10 3 11 1 #Down
11 4 12 1
12 5 13 1
13 6 14 1 #Down
14 9 15 2
15 9 16 1
16 12 17 2
17 13 18 2
18 14 19 1
19 15 20 1
20 15 21 1
21 16 22 1
22 17 23 1
23 19 24 1
24 20 25 1
25 21 26 1
26 22 27 1
27 23 28 1
28 23 29 2
29 24 30 1
30 24 31 2
31 25 32 1
32 26 33 1
33 26 34 2
34 27 35 1
35 28 36 1
36 28 37 1 #Up
37 28 38 1 #Down
38 29 39 1
39 32 40 1
40 35 41 2
41 35 42 1
42 36 43 1 #Down
43 37 44 1
44 39 45 2
45 40 46 1
46 40 47 2
47 41 48 1
48 41 49 1
49 42 50 1
50 43 51 1
51 44 52 1
52 44 53 2
53 48 54 1
54 49 55 1
55 51 56 1
56 54 57 1
57 55 58 1
58 56 59 1
59 56 60 2
60 57 61 1
61 57 62 2
62 58 63 1
63 58 64 2
64 6 12 1
65 7 13 1
66 20 22 2
67 36 39 1
68 45 50 1
69 48 50 2
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