| Entry |
|
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| Name |
Precorrin 2;
Dihydrosirohydrochlorin
|
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| Formula |
C42H48N4O16
|
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| Exact mass |
864.3065
|
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| Mol weight |
864.85
|
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| Structure |
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| Reaction |
|
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| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
| map01120 | Microbial metabolism in diverse environments |
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| Module |
| M00846 | Siroheme biosynthesis, glutamyl-tRNA => siroheme |
| M00924 | Cobalamin biosynthesis, anaerobic, uroporphyrinogen III => sirohydrochlorin => cobyrinate a,c-diamide |
| 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 62
1 C2y C 23.5220 -14.3889
2 C1y C 22.2812 -13.7249
3 C2x C 24.7977 -13.9114
4 N1x N 23.2947 -15.7637
5 C1z C 21.2676 -14.7094
6 C1b C 22.2988 -12.3268
7 C2y C 26.0442 -14.4356
8 C2y C 21.9084 -15.9792
9 C1b C 19.8638 -14.7035
10 C1a C 20.7434 -13.4163
11 C1b C 21.0929 -11.6221
12 C1z C 27.2500 -13.7191
13 N2x N 26.3414 -15.8046
14 C2x C 21.2386 -17.2666
15 C6a C 19.1765 -13.4862
16 C6a C 21.0403 -10.2183
17 C1y C 28.2986 -14.6511
18 C1b C 27.2443 -12.3037
19 C1a C 25.9745 -13.0896
20 C2y C 27.7335 -15.9326
21 C8y C 21.9084 -18.5481
22 O6a O 17.7784 -13.4745
23 O6a O 19.8812 -12.2745
24 O6a O 19.8405 -9.5076
25 O6a O 22.2578 -9.5309
26 C1b C 29.6966 -14.6454
27 C6a C 28.4558 -11.6047
28 C2x C 28.2578 -17.2317
29 C8y C 21.2676 -19.8063
30 N4x N 23.2890 -18.7520
31 C1b C 30.3840 -13.4279
32 O6a O 28.4558 -10.2066
33 O6a O 29.6733 -12.2978
34 C8y C 27.6985 -18.5248
35 C8y C 22.2754 -20.7732
36 C1b C 19.8929 -20.0335
37 C8y C 23.5162 -20.1384
38 C6a C 31.7877 -13.4163
39 C8y C 28.3045 -19.8005
40 N4x N 26.3121 -18.7170
41 C1b C 22.2638 -22.1772
42 C6a C 19.4037 -21.3383
43 C1x C 24.7977 -20.6160
44 O6a O 32.4810 -12.1988
45 O6a O 32.4984 -14.6278
46 C8y C 27.2850 -20.7501
47 C1b C 29.6557 -19.4277
48 C8y C 26.0559 -20.0918
49 C1b C 21.0347 -22.8819
50 O6a O 18.0289 -21.5714
51 O6a O 20.2890 -22.4160
52 C1b C 27.4189 -22.1422
53 C6a C 30.6461 -20.4063
54 C6a C 21.0289 -24.2916
55 C1b C 28.7004 -22.7247
56 O6a O 31.9976 -20.0394
57 O6a O 30.2966 -21.7636
58 O6a O 19.8231 -24.9790
59 O6a O 22.2346 -24.9907
60 C6a C 28.8286 -24.1227
61 O6a O 27.6811 -24.9266
62 O6a O 30.1160 -24.6994
BOND 66
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 4 8 1
8 5 9 1 #Up
9 5 10 1 #Down
10 6 11 1
11 7 12 1
12 7 13 2
13 8 14 2
14 9 15 1
15 11 16 1
16 12 17 1
17 12 18 1 #Up
18 12 19 1 #Down
19 13 20 1
20 14 21 1
21 15 22 1
22 15 23 2
23 16 24 1
24 16 25 2
25 17 26 1 #Down
26 18 27 1
27 20 28 2
28 21 29 2
29 21 30 1
30 26 31 1
31 27 32 1
32 27 33 2
33 28 34 1
34 29 35 1
35 29 36 1
36 30 37 1
37 31 38 1
38 34 39 2
39 34 40 1
40 35 41 1
41 36 42 1
42 37 43 1
43 38 44 1
44 38 45 2
45 39 46 1
46 39 47 1
47 40 48 1
48 41 49 1
49 42 50 1
50 42 51 2
51 46 52 1
52 47 53 1
53 49 54 1
54 52 55 1
55 53 56 1
56 53 57 2
57 54 58 1
58 54 59 2
59 55 60 1
60 60 61 1
61 60 62 2
62 5 8 1
63 17 20 1
64 35 37 2
65 43 48 1
66 46 48 2
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