| Entry |
|
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| Name |
|
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| Formula |
C40H50O18
|
|---|
| Exact mass |
818.2997
|
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| Mol weight |
818.8142
|
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| Structure |
|
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| Reaction |
|
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| Pathway |
| map01057 | Biosynthesis of type II polyketide products |
| map01110 | Biosynthesis of secondary metabolites |
|
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| Module |
| M00782 | Mithramycin biosynthesis, 4-demethylpremithramycinone => mithramycin |
|
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| Enzyme |
2.1.1.-
|
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK13 Aromatic polyketides
PK1312 Other aromatic polyketides
C12386 Premithramycin A3'
|
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| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 58
1 C1y C 19.2659 -25.2895
2 C1y C 19.2659 -23.9253
3 O2x O 20.4585 -23.2338
4 C1y C 21.6321 -23.9253
5 C1x C 21.6321 -25.2895
6 C1z C 20.4585 -25.9623
7 O2a O 22.8208 -23.2411
8 C1a C 18.0879 -23.2391
9 O1a O 18.0900 -25.9698
10 O1a O 21.4091 -26.9359
11 C1a C 19.4860 -26.9359
12 C1y C 21.6258 -21.2043
13 C1y C 21.6258 -19.8401
14 O2x O 22.8183 -19.1485
15 C1y C 23.9920 -19.8401
16 C1x C 23.9920 -21.2043
17 C1y C 22.8183 -21.8769
18 O2a O 25.1711 -19.1560
19 C1a C 20.4478 -19.1537
20 O1a O 20.4498 -21.8846
21 C1y C 23.9859 -17.1097
22 C1y C 23.9859 -15.7454
23 O2x O 25.1689 -15.0633
24 C1y C 26.3521 -15.7454
25 C1x C 26.3521 -17.1097
26 C1y C 25.1689 -17.7918
27 O2a O 27.5312 -15.0706
28 C1a C 22.8079 -15.0686
29 O1a O 22.8099 -17.7993
30 O1a O 31.0520 -9.7565
31 C1x C 26.3910 -9.7565
32 C8y C 20.5490 -10.4075
33 C8x C 21.7238 -9.7442
34 C8y C 22.8890 -10.4170
35 C8x C 24.0543 -9.7538
36 C8y C 25.2196 -10.4170
37 C8x C 20.5544 -11.8211
38 C1y C 27.4801 -10.4263
39 C1y C 28.7249 -9.7633
40 C2y C 29.8806 -10.4263
41 C8y C 21.7238 -12.4938
42 C8y C 22.8795 -11.8306
43 C8y C 24.0448 -12.5032
44 C8y C 25.2100 -11.8402
45 C5x C 26.3848 -12.5032
46 C1z C 27.5405 -11.8495
47 C5x C 28.7154 -12.5127
48 C2y C 29.8711 -11.8495
49 C5a C 31.0459 -12.5223
50 C1a C 32.2112 -11.8590
51 O1a O 21.7142 -13.8390
52 O1a O 24.0448 -13.8485
53 O5x O 26.3753 -13.8581
54 O5x O 28.7058 -13.8581
55 O5a O 31.1063 -13.8674
56 O1a O 19.3837 -9.7442
57 O2a O 28.7154 -8.3896
58 C1a C 29.8881 -7.7040
BOND 64
1 21 29 1 #Down
2 26 18 1 #Up
3 12 13 1
4 13 14 1
5 14 15 1
6 15 16 1
7 32 33 1
8 16 17 1
9 33 34 2
10 17 12 1
11 34 35 1
12 2 3 1
13 35 36 2
14 36 31 1
15 15 18 1 #Up
16 32 37 2
17 1 9 1 #Down
18 31 38 1
19 13 19 1 #Up
20 38 39 1
21 3 4 1
22 39 40 1
23 40 30 1
24 12 20 1 #Up
25 37 41 1
26 17 7 1 #Up
27 41 42 2
28 6 10 1 #Down
29 42 43 1
30 4 5 1
31 43 44 2
32 6 11 1 #Up
33 44 45 1
34 5 6 1
35 45 46 1
36 6 1 1
37 46 47 1
38 47 48 1
39 21 22 1
40 48 49 1
41 22 23 1
42 49 50 1
43 23 24 1
44 41 51 1
45 24 25 1
46 43 52 1
47 25 26 1
48 45 53 2
49 26 21 1
50 47 54 2
51 4 7 1 #Up
52 49 55 2
53 24 27 1 #Up
54 32 56 1
55 34 42 1
56 36 44 1
57 38 46 1
58 40 48 2
59 1 2 1
60 46 27 1 #Down
61 22 28 1 #Up
62 39 57 1 #Down
63 2 8 1 #Up
64 57 58 1
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