| Entry |
|
|---|
| Name |
3A-Deolivosylpremithramycin B
|
|---|
| Formula |
C47H62O21
|
|---|
| Exact mass |
962.3784
|
|---|
| Mol weight |
962.98
|
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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 |
2.4.1.-
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK13 Aromatic polyketides
PK1312 Other aromatic polyketides
C18710 3A-Deolivosylpremithramycin B
|
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| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 68
1 C8y C 23.0300 -11.7600
2 C8y C 23.0300 -13.1600
3 C8y C 24.2200 -13.8600
4 C8y C 25.4800 -13.1600
5 C8y C 25.4800 -11.7600
6 C8x C 24.2200 -11.0600
7 C8y C 26.6700 -13.8600
8 C8y C 27.8600 -13.1600
9 C8y C 27.8600 -11.7600
10 C8x C 26.6700 -11.0600
11 C5x C 29.1200 -13.8600
12 C1z C 30.3100 -13.1600
13 C1y C 30.3100 -11.7600
14 C1x C 29.1200 -11.0600
15 C5x C 31.5000 -13.8600
16 C2y C 32.7600 -13.1600
17 C2y C 32.7600 -11.7600
18 C1y C 31.5000 -11.0600
19 O5x O 29.1200 -15.2600
20 C1a C 21.8400 -13.8600
21 O2a O 21.8400 -11.0600
22 O1a O 24.2200 -15.2600
23 O1a O 26.6700 -15.2600
24 O5x O 31.5000 -15.2600
25 O2a O 31.5000 -9.6600
26 C1a C 32.6900 -8.9600
27 O1a O 33.9500 -11.0600
28 C5a C 33.9500 -13.8600
29 C1a C 35.1400 -13.1600
30 O5a O 33.9500 -15.2600
31 C1y C 22.0500 -26.6700
32 C1y C 22.0500 -25.2700
33 O2x O 23.2400 -24.5700
34 C1y C 24.4300 -25.2700
35 C1x C 24.4300 -26.6700
36 C1z C 23.2400 -27.3000
37 O2a O 25.6200 -24.5700
38 C1a C 20.9300 -24.5700
39 O1a O 20.9300 -27.3000
40 O1a O 24.2200 -28.2800
41 C1a C 22.2600 -28.2800
42 C1y C 24.4300 -22.5400
43 C1y C 24.4300 -21.2100
44 O2x O 25.6200 -20.5100
45 C1y C 26.8100 -21.2100
46 C1x C 26.8100 -22.5400
47 C1y C 25.6200 -23.2400
48 O2a O 28.0000 -20.5100
49 C1a C 23.2400 -20.5100
50 O1a O 23.2400 -23.2400
51 C1y C 26.8100 -18.4800
52 C1y C 26.8100 -17.0800
53 O2x O 28.0000 -16.3800
54 C1y C 29.1900 -17.0800
55 C1x C 29.1900 -18.4800
56 C1y C 28.0000 -19.1100
57 O2a O 30.3100 -16.4500
58 C1a C 25.6200 -16.4500
59 O1a O 25.6200 -19.1800
60 C1y C 18.2000 -11.7600
61 C1y C 18.2000 -13.1600
62 C1y C 19.3900 -13.8600
63 C1x C 20.6500 -13.1600
64 C1y C 20.6500 -11.7600
65 O2x O 19.3900 -11.0600
66 O1a O 19.3900 -15.2600
67 C1a C 17.0100 -11.0600
68 O1a O 17.0100 -13.8600
BOND 75
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 12 15 1
18 15 16 1
19 16 17 2
20 17 18 1
21 13 18 1
22 11 19 2
23 2 20 1
24 1 21 1
25 3 22 1
26 7 23 1
27 15 24 2
28 18 25 1 #Down
29 25 26 1
30 17 27 1
31 16 28 1
32 28 29 1
33 28 30 2
34 56 48 1 #Up
35 42 43 1
36 43 44 1
37 44 45 1
38 45 46 1
39 46 47 1
40 47 42 1
41 32 33 1
42 45 48 1 #Up
43 31 39 1 #Down
44 43 49 1 #Up
45 33 34 1
46 42 50 1 #Up
47 47 37 1 #Up
48 36 40 1 #Down
49 34 35 1
50 36 41 1 #Up
51 35 36 1
52 36 31 1
53 51 52 1
54 52 53 1
55 53 54 1
56 54 55 1
57 55 56 1
58 56 51 1
59 34 37 1 #Up
60 54 57 1 #Up
61 31 32 1
62 12 57 1 #Down
63 52 58 1 #Up
64 32 38 1 #Up
65 51 59 1 #Down
66 60 61 1
67 61 62 1
68 62 63 1
69 63 64 1
70 64 65 1
71 60 65 1
72 64 21 1 #Up
73 62 66 1 #Up
74 60 67 1 #Up
75 61 68 1 #Down
|
|---|
