| Entry |
|
|---|
| Name |
|
|---|
| Formula |
C41H52O18
|
|---|
| Exact mass |
832.3154
|
|---|
| Mol weight |
832.8408
|
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| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01057 | Biosynthesis of type II polyketide products |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Module |
| M00782 | Mithramycin biosynthesis, 4-demethylpremithramycinone => mithramycin |
|
|---|
| Enzyme |
2.1.1.- 2.4.1.-
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK13 Aromatic polyketides
PK1312 Other aromatic polyketides
C12387 Premithramycin A3
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 59
1 C1y C 22.1439 -27.6247
2 C1y C 22.1439 -26.2599
3 O2x O 23.3372 -25.5682
4 C1y C 24.5112 -26.2599
5 C1x C 24.5112 -27.6247
6 C1z C 23.3372 -28.2978
7 O2a O 25.7004 -25.5754
8 C1a C 20.9653 -25.5734
9 O1a O 20.9674 -28.3053
10 O1a O 24.2882 -29.2718
11 C1a C 22.3641 -29.2718
12 C1y C 24.5050 -23.5377
13 C1y C 24.5050 -22.1729
14 O2x O 25.6981 -21.4810
15 C1y C 26.8723 -22.1729
16 C1x C 26.8723 -23.5377
17 C1y C 25.6981 -24.2106
18 O2a O 28.0520 -21.4885
19 C1a C 23.3265 -21.4862
20 O1a O 23.3285 -24.2183
21 C1y C 26.8659 -19.4412
22 C1y C 26.8659 -18.0764
23 O2x O 28.0495 -17.3940
24 C1y C 29.2332 -18.0764
25 C1x C 29.2332 -19.4412
26 C1y C 28.0495 -20.1236
27 O2a O 30.4129 -17.4013
28 C1a C 25.6874 -17.3992
29 O1a O 25.6895 -20.1311
30 O1a O 33.9353 -12.1547
31 C1x C 29.2721 -12.1547
32 C8y C 23.4277 -12.8060
33 C8x C 24.6028 -12.1424
34 C8y C 25.7686 -12.8155
35 C8x C 26.9344 -12.1520
36 C8y C 28.1002 -12.8155
37 C8y C 23.4329 -14.1503
38 C1y C 30.4318 -12.8248
39 C1y C 31.6071 -12.1615
40 C2y C 32.7633 -12.8248
41 C8y C 24.6028 -14.8233
42 C8y C 25.7593 -14.1598
43 C8y C 26.9251 -14.8327
44 C8y C 28.0909 -14.1694
45 C5x C 29.2660 -14.8327
46 C1z C 30.4224 -14.1787
47 C5x C 31.5976 -14.8422
48 C2y C 32.7540 -14.1787
49 C5a C 33.9291 -14.8518
50 C1a C 35.0949 -14.1882
51 O1a O 24.5935 -16.1691
52 O1a O 26.9251 -16.1786
53 O5x O 29.2567 -16.1882
54 O5x O 31.5882 -16.1882
55 O5a O 33.9198 -16.1975
56 O1a O 22.2619 -12.1424
57 O2a O 31.5976 -10.7871
58 C1a C 32.7711 -10.1013
59 C1a C 22.2549 -14.8279
BOND 65
1 26 18 1 #Up
2 12 13 1
3 13 14 1
4 14 15 1
5 15 16 1
6 32 33 1
7 16 17 1
8 33 34 2
9 17 12 1
10 34 35 1
11 2 3 1
12 35 36 2
13 36 31 1
14 15 18 1 #Up
15 32 37 2
16 1 9 1 #Down
17 31 38 1
18 13 19 1 #Up
19 38 39 1
20 3 4 1
21 39 40 1
22 40 30 1
23 12 20 1 #Up
24 37 41 1
25 17 7 1 #Up
26 41 42 2
27 6 10 1 #Down
28 42 43 1
29 4 5 1
30 43 44 2
31 6 11 1 #Up
32 44 45 1
33 5 6 1
34 45 46 1
35 6 1 1
36 46 47 1
37 47 48 1
38 21 22 1
39 48 49 1
40 22 23 1
41 49 50 1
42 23 24 1
43 41 51 1
44 24 25 1
45 43 52 1
46 25 26 1
47 45 53 2
48 26 21 1
49 47 54 2
50 4 7 1 #Up
51 49 55 2
52 24 27 1 #Up
53 32 56 1
54 34 42 1
55 36 44 1
56 38 46 1
57 40 48 2
58 1 2 1
59 46 27 1 #Down
60 22 28 1 #Up
61 39 57 1 #Down
62 2 8 1 #Up
63 57 58 1
64 21 29 1 #Down
65 37 59 1
|
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