| Entry |
|
|---|
| Name |
Megalomicin B;
4'-Acetylmegalomycin A
|
|---|
| Formula |
C46H82N2O16
|
|---|
| Exact mass |
918.5664
|
|---|
| Mol weight |
919.1471
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00522 | Biosynthesis of 12-, 14- and 16-membered macrolides |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK04 Macrolides and lactone polyketides
C11986 Megalomicin B
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 64
1 O2x O 25.4502 -12.8889
2 C1y C 26.1570 -14.1210
3 C1y C 26.1570 -11.6800
4 C1x C 27.5584 -14.1210
5 C1y C 27.5584 -11.6800
6 C1y C 28.2592 -12.8946
7 O1a O 28.2592 -10.4477
8 N1c N 29.6717 -12.8916
9 C1a C 25.4602 -10.4654
10 C1a C 30.3805 -14.1134
11 C1a C 30.3754 -11.6670
12 C1y C 24.5926 -17.5275
13 C1y C 23.3429 -18.2574
14 O2a O 25.8072 -18.2515
15 C1z C 24.5926 -16.1025
16 C1y C 23.3429 -19.6882
17 C1a C 22.3325 -17.2353
18 C1y C 27.0395 -17.5275
19 C1x C 23.3429 -15.3900
20 C1a C 25.7315 -15.6295
21 O2a O 24.8028 -14.6600
22 O2a O 24.5809 -20.3131
23 C1y C 22.1106 -20.4007
24 C1y C 27.7462 -18.7596
25 O2x O 27.7462 -16.3186
26 C1y C 23.3429 -13.9533
27 C1y C 25.2641 -21.4927
28 C7x C 20.8784 -19.6882
29 C1a C 22.1106 -21.8490
30 C1y C 29.1477 -18.7596
31 O1a O 26.9460 -19.8985
32 C1y C 29.1477 -16.3186
33 C5x C 22.1106 -13.2291
34 C1a C 24.1726 -12.9491
35 C1x C 25.2583 -22.8593
36 O2x O 26.4379 -20.8212
37 O7x O 20.8784 -18.2574
38 O6a O 19.8333 -20.3364
39 C1x C 29.8485 -17.5332
40 N1c N 30.2866 -19.7933
41 C1a C 29.8485 -15.0863
42 C1y C 20.8784 -13.9533
43 O5x O 22.1106 -11.8043
44 C1z C 26.4205 -23.5426
45 C1y C 27.6177 -21.5161
46 C1y C 19.6227 -17.5275
47 C1a C 31.3727 -19.0751
48 C1a C 31.4429 -20.5058
49 C1y C 20.8784 -15.3900
50 C1a C 19.6227 -13.2291
51 C1y C 27.6760 -22.8769
52 C1a C 27.2847 -24.5996
53 O1a O 25.5854 -24.6697
54 C1a C 28.7041 -20.6753
55 C1z C 19.6227 -16.1025
56 C1b C 18.3788 -18.2400
57 O1a O 22.1047 -16.0966
58 O7a O 28.7682 -23.5426
59 C1a C 18.4198 -15.3024
60 O1a O 19.6052 -14.7066
61 C1a C 18.4371 -19.6765
62 C7a C 29.9257 -22.8691
63 C1a C 31.0879 -23.5348
64 O6a O 29.9913 -21.7398
BOND 67
1 6 8 1 #Down
2 1 2 1
3 3 9 1 #Up
4 1 3 1
5 8 10 1
6 2 4 1
7 8 11 1
8 3 5 1
9 4 6 1
10 12 13 1
11 12 14 1 #Down
12 12 15 1
13 13 16 1
14 13 17 1 #Down
15 18 14 1 #Down
16 15 19 1
17 15 20 1 #Down
18 15 21 1 #Up
19 16 22 1 #Down
20 16 23 1
21 18 24 1
22 18 25 1
23 19 26 1
24 27 22 1 #Down
25 23 28 1
26 23 29 1 #Up
27 24 30 1
28 24 31 1 #Up
29 25 32 1
30 26 33 1
31 26 34 1 #Down
32 27 35 1
33 27 36 1
34 28 37 1
35 28 38 2
36 30 39 1
37 30 40 1 #Down
38 32 41 1 #Down
39 33 42 1
40 33 43 2
41 35 44 1
42 36 45 1
43 37 46 1
44 40 47 1
45 40 48 1
46 42 49 1
47 42 50 1 #Up
48 44 51 1
49 44 52 1 #Up
50 44 53 1 #Down
51 45 54 1 #Up
52 46 55 1
53 46 56 1 #Down
54 49 57 1 #Up
55 51 58 1 #Down
56 55 59 1 #Down
57 55 60 1 #Up
58 56 61 1
59 32 39 1
60 45 51 1
61 49 55 1
62 2 21 1 #Down
63 5 7 1 #Down
64 58 62 1
65 5 6 1
66 62 63 1
67 62 64 2
|
|---|
