 | | COMPOUND: C11987 | |
| Entry |
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| Name |
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| Formula |
C48H84N2O17
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| Exact mass |
960.577
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| Mol weight |
961.1838
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| Structure |
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| Reaction |
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| Pathway |
| map00522 | Biosynthesis of 12-, 14- and 16-membered macrolides |
| map01110 | Biosynthesis of secondary metabolites |
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK04 Macrolides and lactone polyketides
C11987 Megalomicin C1
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| Other DBs |
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| KCF data |
ATOM 67
1 O2x O 25.3906 -12.8491
2 C1y C 26.0974 -14.0813
3 C1y C 26.0974 -11.6401
4 C1x C 27.4990 -14.0813
5 C1y C 27.4990 -11.6401
6 C1y C 28.1999 -12.8548
7 O1a O 28.1999 -10.4077
8 N1c N 29.6124 -12.8518
9 C1a C 25.4006 -10.4253
10 C1a C 30.3213 -14.0737
11 C1a C 30.3162 -11.6270
12 C1y C 24.5329 -17.4881
13 C1y C 23.2831 -18.2181
14 O2a O 25.7476 -18.2122
15 C1z C 24.5329 -16.0630
16 C1y C 23.2831 -19.6490
17 C1a C 22.4126 -17.1959
18 C1y C 26.9800 -17.4881
19 C1x C 23.2831 -15.3504
20 C1a C 25.7419 -15.5899
21 O2a O 24.7431 -14.6204
22 O2a O 24.5212 -20.2740
23 C1y C 22.0507 -20.3615
24 C1y C 27.6868 -18.7203
25 O2x O 27.6868 -16.2791
26 C1y C 23.2831 -13.9136
27 C1y C 25.2045 -21.4537
28 C7x C 20.8183 -19.6490
29 C1a C 22.0507 -21.8100
30 C1y C 29.0884 -18.7203
31 O1a O 26.8865 -19.8593
32 C1y C 29.0884 -16.2791
33 C5x C 22.0507 -13.1894
34 C1a C 24.1129 -12.9094
35 C1x C 25.1987 -22.8204
36 O2x O 26.3784 -20.7821
37 O7x O 20.8183 -18.2181
38 O6a O 19.9831 -20.2272
39 C1x C 29.7893 -17.4939
40 N1c N 30.2274 -19.7542
41 C1a C 29.7893 -15.2567
42 C1y C 20.8183 -13.9136
43 O5x O 22.0507 -11.7644
44 C1z C 26.3609 -23.5038
45 C1y C 27.5583 -21.4771
46 C1y C 19.5626 -17.4881
47 C1a C 31.5236 -18.8258
48 C1a C 31.3838 -20.4667
49 C1y C 20.8183 -15.3504
50 C1a C 19.5626 -13.1894
51 C1y C 27.5466 -22.8380
52 C1a C 27.2253 -24.5609
53 O7a O 25.5258 -24.6310
54 C1a C 28.7148 -20.5662
55 C1z C 19.5626 -16.0630
56 C1b C 18.3185 -18.2007
57 O1a O 22.0448 -16.0570
58 O7a O 28.7088 -23.5038
59 C1a C 18.3595 -15.2628
60 O1a O 19.5451 -14.6670
61 C1a C 18.3068 -19.6373
62 C7a C 29.8665 -22.8302
63 C1a C 31.0288 -23.4960
64 O6a O 29.8621 -21.7708
65 C7a C 24.3144 -23.9299
66 C1a C 23.1076 -24.6286
67 O6a O 24.3142 -22.5326
BOND 70
1 3 9 1 #Up
2 1 3 1
3 8 10 1
4 2 4 1
5 8 11 1
6 3 5 1
7 4 6 1
8 12 13 1
9 12 14 1 #Down
10 12 15 1
11 13 16 1
12 13 17 1 #Down
13 18 14 1 #Down
14 15 19 1
15 15 20 1 #Down
16 15 21 1 #Up
17 16 22 1 #Down
18 16 23 1
19 18 24 1
20 18 25 1
21 19 26 1
22 27 22 1 #Down
23 23 28 1
24 23 29 1 #Up
25 24 30 1
26 24 31 1 #Up
27 25 32 1
28 26 33 1
29 26 34 1 #Down
30 27 35 1
31 27 36 1
32 28 37 1
33 28 38 2
34 30 39 1
35 30 40 1 #Down
36 32 41 1 #Down
37 33 42 1
38 33 43 2
39 35 44 1
40 36 45 1
41 37 46 1
42 40 47 1
43 40 48 1
44 42 49 1
45 42 50 1 #Up
46 44 51 1
47 44 52 1 #Up
48 44 53 1 #Down
49 45 54 1 #Up
50 46 55 1
51 46 56 1 #Down
52 49 57 1 #Up
53 51 58 1 #Down
54 55 59 1 #Down
55 55 60 1 #Up
56 56 61 1
57 32 39 1
58 45 51 1
59 49 55 1
60 2 21 1 #Down
61 5 7 1 #Down
62 58 62 1
63 5 6 1
64 62 63 1
65 62 64 2
66 53 65 1
67 6 8 1 #Down
68 65 66 1
69 1 2 1
70 65 67 2
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