| Entry |
|
|---|
| Name |
|
|---|
| Formula |
C53H72O24
|
|---|
| Exact mass |
1092.4414
|
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| Mol weight |
1093.1244
|
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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.- 2.4.1.-
|
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK13 Aromatic polyketides
PK1312 Other aromatic polyketides
C12388 Premithramycin B
|
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| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 77
1 C1y C 19.1615 -18.0261
2 C1y C 19.1615 -16.6538
3 O2x O 20.3621 -15.9631
4 C1y C 21.5441 -16.6538
5 C1x C 21.5441 -18.0261
6 C1y C 20.3621 -18.7075
7 O2a O 22.7315 -15.9704
8 C1a C 17.9753 -15.9684
9 O1a O 17.9773 -18.7152
10 O1a O 20.3646 -20.0798
11 C1y C 21.5377 -13.9170
12 C1y C 21.5377 -12.5447
13 O2x O 22.7290 -11.8538
14 C1y C 23.9205 -12.5447
15 C1x C 23.9205 -13.9170
16 C1y C 22.7290 -14.5984
17 O2a O 25.1076 -12.0713
18 C1a C 20.3517 -11.8592
19 O1a O 20.3537 -14.6059
20 C1y C 24.9900 -27.6337
21 C1y C 24.9900 -26.2614
22 O2x O 26.1813 -25.5707
23 C1y C 27.3725 -26.2614
24 C1x C 27.3725 -27.6337
25 C1z C 26.1813 -28.3150
26 O2a O 28.5599 -25.5780
27 C1a C 23.8037 -25.5759
28 O1a O 23.8058 -28.3228
29 O1a O 27.1404 -29.2971
30 C1a C 25.2098 -29.2971
31 C1y C 27.3664 -23.5243
32 C1y C 27.3664 -22.1523
33 O2x O 28.5577 -21.4614
34 C1y C 29.7394 -22.1523
35 C1x C 29.7394 -23.5243
36 C1y C 28.5577 -24.2057
37 O2a O 30.9268 -21.4689
38 C1a C 26.1706 -21.4666
39 O1a O 26.1726 -24.2134
40 C1y C 29.7332 -19.4152
41 C1y C 29.7332 -18.0429
42 O2x O 30.9245 -17.3522
43 C1y C 32.1158 -18.0429
44 C1x C 32.1158 -19.4152
45 C1y C 30.9245 -20.0966
46 O2a O 33.3032 -17.3595
47 C1a C 28.5470 -17.3575
48 O1a O 28.5490 -20.1043
49 O1a O 36.8390 -12.0833
50 C1x C 32.1546 -12.0833
51 C8y C 26.2812 -12.7431
52 C8x C 27.4547 -12.0713
53 C8y C 28.6376 -12.7527
54 C8x C 29.8016 -12.0806
55 C8y C 30.9752 -12.7527
56 C8y C 26.2166 -14.0946
57 C1y C 33.3220 -12.7620
58 C1y C 34.4956 -12.0901
59 C2y C 35.6689 -12.7620
60 C8y C 27.4547 -14.7760
61 C8y C 28.6281 -14.1041
62 C8y C 29.7921 -14.7855
63 C8y C 31.0356 -14.1134
64 C5x C 32.1485 -14.7855
65 C1z C 33.3125 -14.1230
66 C5x C 34.4860 -14.7948
67 C2y C 35.7296 -14.1230
68 C5a C 36.8329 -14.8044
69 C1a C 38.0065 -14.1325
70 O1a O 27.4452 -16.1292
71 O1a O 29.7921 -16.1387
72 O5x O 32.1392 -16.1483
73 O5x O 34.4765 -16.1483
74 O5a O 36.8236 -16.1576
75 O2a O 34.4860 -10.7179
76 C1a C 35.6766 -10.0235
77 C1a C 25.1006 -14.7807
BOND 85
1 11 19 1 #Down
2 31 39 1 #Up
3 36 26 1 #Up
4 16 7 1 #Up
5 3 4 1
6 6 10 1 #Up
7 4 5 1
8 5 6 1
9 6 1 1
10 40 41 1
11 41 42 1
12 42 43 1
13 43 44 1
14 44 45 1
15 45 40 1
16 43 46 1 #Up
17 20 21 1
18 41 47 1 #Up
19 21 22 1
20 40 48 1 #Down
21 45 37 1 #Up
22 22 23 1
23 23 24 1
24 24 25 1
25 25 20 1
26 51 52 1
27 4 7 1 #Up
28 52 53 2
29 23 26 1 #Up
30 53 54 1
31 1 2 1
32 54 55 2
33 55 50 1
34 21 27 1 #Up
35 51 56 2
36 11 12 1
37 50 57 1
38 20 28 1 #Down
39 57 58 1
40 12 13 1
41 58 59 1
42 59 49 1
43 25 29 1 #Down
44 56 60 1
45 13 14 1
46 60 61 2
47 25 30 1 #Up
48 61 62 1
49 14 15 1
50 62 63 2
51 15 16 1
52 63 64 1
53 16 11 1
54 64 65 1
55 2 8 1 #Up
56 65 66 1
57 14 17 1 #Up
58 66 67 1
59 2 3 1
60 67 68 1
61 31 32 1
62 68 69 1
63 32 33 1
64 60 70 1
65 33 34 1
66 62 71 1
67 34 35 1
68 64 72 2
69 35 36 1
70 66 73 2
71 36 31 1
72 68 74 2
73 51 17 1
74 53 61 1
75 55 63 1
76 57 65 1
77 59 67 2
78 12 18 1 #Up
79 65 46 1 #Down
80 34 37 1 #Up
81 58 75 1 #Down
82 1 9 1 #Down
83 75 76 1
84 32 38 1 #Up
85 56 77 1
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