 | | COMPOUND: C21835 | |
| Entry |
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| Name |
12,18-Didecarboxysiroheme
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| Formula |
C40H44FeN4O12
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| Exact mass |
828.2305
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| Mol weight |
828.642
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| Structure |
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| Reaction |
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| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
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| Module |
| M00847 | Heme biosynthesis, archaea, siroheme => heme |
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| Enzyme |
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| KCF data |
ATOM 57
1 C8y C 17.2561 -13.4683
2 C1y C 16.0455 -12.8227
3 C8x C 18.5158 -13.0030
4 N5x N 17.0421 -14.8135
5 C1z C 15.0560 -13.7900
6 C1b C 16.0631 -11.4540
7 C8y C 19.7324 -13.5150
8 C8y C 15.6851 -15.0300
9 C1b C 13.2858 -14.2648
10 C1a C 14.5367 -12.5127
11 C1b C 14.8806 -10.7605
12 C1z C 20.9079 -12.8169
13 N4y N 20.0237 -14.8545
14 C8x C 15.0268 -16.2875
15 C6a C 12.4403 -13.2827
16 C6a C 14.8981 -9.3969
17 C1y C 21.9397 -13.7315
18 C1b C 20.9022 -11.4308
19 C1a C 19.5921 -12.0277
20 C8y C 21.3864 -14.9830
21 C8y C 15.6851 -17.5389
22 O6a O 13.6365 -8.5273
23 O6a O 16.0923 -8.7229
24 C1b C 23.3082 -13.7258
25 C6a C 22.0975 -10.7431
26 C8x C 21.8987 -16.2524
27 C8y C 15.0560 -18.7741
28 N4y N 17.0363 -17.7435
29 C1b C 23.9842 -12.5243
30 O6a O 22.0975 -9.3803
31 O6a O 23.2848 -11.4249
32 C8y C 21.3513 -17.5154
33 C8y C 16.0397 -19.7239
34 C1a C 13.7108 -18.9952
35 C8y C 17.2504 -19.1006
36 C6a C 25.3586 -12.5127
37 C8y C 21.9455 -18.7684
38 N5x N 19.9944 -17.7085
39 C1b C 16.0280 -21.0983
40 C8x C 18.5158 -19.5658
41 O6a O 26.0337 -11.3254
42 O6a O 26.0511 -13.7081
43 C8y C 20.9430 -19.7006
44 C8y C 19.7440 -19.0537
45 C1b C 14.8292 -21.7849
46 C1b C 21.0775 -21.0633
47 C6a C 14.8235 -23.1653
48 C1b C 22.3289 -21.6341
49 O6a O 13.6408 -23.8413
50 O6a O 15.9986 -23.8529
51 C6a C 22.4578 -23.0028
52 O6a O 21.3338 -23.7887
53 O6a O 23.7152 -23.5677
54 Z Fe 18.4337 -16.3467
55 O6a O 12.8705 -12.0638
56 O6a O 11.1712 -13.5267
57 C1a C 23.3520 -19.0386
BOND 62
1 1 3 1
2 1 4 2
3 2 5 1
4 2 6 1 #Down
5 3 7 2
6 4 8 1
7 5 9 1 #Up
8 5 10 1 #Down
9 6 11 1
10 7 12 1
11 7 13 1
12 8 14 2
13 9 15 1
14 11 16 1
15 12 17 1
16 12 18 1 #Up
17 12 19 1 #Down
18 13 20 1
19 14 21 1
20 16 22 1
21 16 23 2
22 17 24 1 #Down
23 18 25 1
24 20 26 2
25 21 27 2
26 21 28 1
27 24 29 1
28 25 30 1
29 25 31 2
30 26 32 1
31 27 33 1
32 27 34 1
33 28 35 1
34 29 36 1
35 32 37 1
36 32 38 2
37 33 39 1
38 35 40 1
39 36 41 1
40 36 42 2
41 37 43 2
42 38 44 1
43 39 45 1
44 43 46 1
45 45 47 1
46 46 48 1
47 47 49 1
48 47 50 2
49 48 51 1
50 51 52 1
51 51 53 2
52 5 8 1
53 17 20 1
54 33 35 2
55 40 44 2
56 43 44 1
57 13 54 1
58 28 54 1
59 15 55 2
60 1 2 1
61 15 56 1
62 37 57 1
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