| Entry |
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| Name |
|
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| Formula |
C52H74O24
|
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| Exact mass |
1082.457
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| Mol weight |
1083.1296
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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 |
1.14.13.-
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK13 Aromatic polyketides
PK1312 Other aromatic polyketides
C18711 Mithramycin DK
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| Other DBs |
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| KCF data |
ATOM 76
1 C8y C 24.2200 -12.3900
2 C8y C 24.2200 -13.7900
3 C8y C 25.4100 -14.4900
4 C8y C 26.6000 -13.7900
5 C8y C 26.6000 -12.3900
6 C8x C 25.4100 -11.6900
7 C8y C 27.7900 -14.4900
8 C8y C 28.9800 -13.7900
9 C8y C 28.9800 -12.3900
10 C8x C 27.7900 -11.6900
11 C5x C 30.2400 -14.4900
12 C1y C 31.4300 -13.7900
13 C1y C 31.4300 -12.3900
14 C1x C 30.2400 -11.6900
15 C5a C 33.8800 -12.3900
16 C1c C 32.6200 -11.6900
17 O5x O 30.2400 -15.8200
18 C1a C 23.0300 -14.4900
19 O2a O 23.0300 -11.6900
20 O1a O 25.4100 -15.8200
21 O1a O 27.7900 -15.8200
22 O2a O 32.6200 -10.2900
23 C1y C 23.2400 -27.1600
24 C1y C 23.2400 -25.7600
25 O2x O 24.4300 -25.1300
26 C1y C 25.6200 -25.7600
27 C1x C 25.6200 -27.1600
28 C1z C 24.4300 -27.7900
29 O2a O 26.7400 -25.1300
30 C1a C 22.1200 -25.1300
31 O1a O 22.1200 -27.7900
32 O1a O 25.4100 -28.7700
33 C1a C 23.4500 -28.7700
34 C1y C 25.6200 -23.1000
35 C1y C 25.6200 -21.7700
36 O2x O 26.7400 -21.0700
37 C1y C 27.9300 -21.7700
38 C1x C 27.9300 -23.1000
39 C1y C 26.7400 -23.8000
40 O2a O 29.1200 -21.0700
41 C1a C 24.4300 -21.0700
42 O1a O 24.4300 -23.8000
43 C1y C 27.9300 -19.0400
44 C1y C 27.9300 -17.6400
45 O2x O 29.1200 -16.9400
46 C1y C 30.3100 -17.6400
47 C1x C 30.3100 -19.0400
48 C1y C 29.1200 -19.6700
49 O2a O 31.4300 -17.0100
50 C1a C 26.7400 -17.0100
51 O1a O 26.7400 -19.7400
52 C1y C 19.3900 -12.3900
53 C1y C 19.3900 -13.7900
54 C1y C 20.5800 -14.4900
55 C1x C 21.8400 -13.7900
56 C1y C 21.8400 -12.3900
57 O2x O 20.5800 -11.6900
58 O2a O 20.5800 -15.8200
59 C1a C 18.2000 -11.6900
60 O1a O 18.2000 -14.4900
61 C1y C 16.9400 -16.5200
62 C1y C 16.9400 -17.9200
63 C1y C 18.1300 -18.6200
64 C1x C 19.3900 -17.9200
65 C1y C 19.3900 -16.5200
66 O2x O 18.1300 -15.8200
67 O1a O 18.1300 -20.0200
68 C1a C 15.7500 -15.8200
69 O1a O 15.7500 -18.6200
70 C1c C 35.0924 -11.6900
71 C5a C 36.3049 -12.3900
72 C1a C 37.5173 -11.6900
73 O5a O 33.8916 -13.7900
74 O5a O 36.3049 -13.7898
75 C1a C 31.4076 -9.5900
76 O1a O 35.0924 -10.2900
BOND 83
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 8 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 9 14 1
17 15 16 1
18 13 16 1
19 11 17 2
20 2 18 1
21 1 19 1
22 3 20 1
23 7 21 1
24 16 22 1 #Down
25 48 40 1 #Up
26 34 35 1
27 35 36 1
28 36 37 1
29 37 38 1
30 38 39 1
31 39 34 1
32 24 25 1
33 37 40 1 #Up
34 23 31 1 #Down
35 35 41 1 #Up
36 25 26 1
37 34 42 1 #Up
38 39 29 1 #Up
39 28 32 1 #Down
40 26 27 1
41 28 33 1 #Up
42 27 28 1
43 28 23 1
44 43 44 1
45 44 45 1
46 45 46 1
47 46 47 1
48 47 48 1
49 48 43 1
50 26 29 1 #Up
51 46 49 1 #Up
52 23 24 1
53 12 49 1 #Down
54 44 50 1 #Up
55 24 30 1 #Up
56 43 51 1 #Down
57 52 53 1
58 53 54 1
59 54 55 1
60 55 56 1
61 56 57 1
62 52 57 1
63 56 19 1 #Up
64 54 58 1 #Up
65 52 59 1 #Up
66 53 60 1 #Down
67 61 62 1
68 62 63 1
69 63 64 1
70 64 65 1
71 65 66 1
72 61 66 1
73 63 67 1 #Up
74 61 68 1 #Up
75 62 69 1 #Down
76 65 58 1 #Up
77 15 70 1
78 70 71 1
79 71 72 1
80 15 73 2
81 71 74 2
82 22 75 1
83 70 76 1 #Up
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