Entry |
|
Name |
|
Formula |
C48H74O15
|
Exact mass |
890.5028
|
Mol weight |
891.09
|
Structure |
|
Reaction |
|
Pathway |
map00522 | Biosynthesis of 12-, 14- and 16-membered macrolides |
|
Enzyme |
2.4.1.-
|
Brite |
Lipids [BR:br08002]
PK Polyketides
PK04 Macrolides and lactone polyketides
C11960 Avermectin A2b
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 63
1 C1z C 31.4742 -14.0308
2 O2x O 32.6660 -14.7196
3 C1y C 33.8583 -14.0321
4 C1y C 33.8588 -12.6556
5 C1y C 32.6673 -11.9669
6 C1x C 31.4748 -12.6546
7 C1x C 27.8761 -13.3421
8 C2x C 26.6746 -14.0308
9 C2y C 25.4723 -13.3368
10 C1y C 24.2698 -14.0308
11 C1y C 24.2698 -15.4194
12 C1y C 29.0773 -14.0308
13 C1x C 31.4763 -15.4296
14 O2x O 30.2827 -13.3418
15 C1y C 30.2709 -16.1187
16 C1x C 29.0789 -15.4218
17 O7x O 30.2633 -17.4996
18 C2x C 25.4755 -16.1116
19 C2x C 25.4755 -17.4962
20 C2x C 26.6728 -18.1810
21 C2y C 26.6652 -19.5633
22 C7x C 29.0671 -18.1942
23 C1y C 29.0595 -19.5764
24 C1z C 27.8630 -20.2560
25 C1y C 27.8535 -21.6317
26 C1y C 29.0400 -22.3281
27 C2y C 30.2363 -21.6485
28 C2x C 30.2460 -20.2728
29 C1a C 25.4723 -11.9482
30 O2a O 23.0673 -13.3368
31 C1a C 23.0681 -16.2550
32 C1x C 25.4605 -20.2539
33 O1a O 27.9846 -18.8632
34 O2a O 29.0303 -23.7164
35 C1a C 31.4338 -22.3512
36 O6a O 27.8656 -17.4980
37 C1a C 35.0616 -11.9619
38 C1c C 35.0603 -14.7269
39 C1a C 35.0598 -16.1152
40 C1a C 36.2631 -14.0332
41 O2x O 25.5093 -21.6401
42 C1a C 30.2279 -24.4191
43 C1y C 19.4615 -14.0308
44 C1y C 19.4615 -15.4194
45 C1y C 20.6627 -16.1192
46 C1x C 21.8642 -15.4194
47 C1y C 21.8642 -14.0308
48 O2x O 20.6627 -13.3421
49 C1a C 18.2600 -13.3350
50 O2a O 20.6627 -17.5075
51 O2a O 18.2577 -16.1113
52 C1a C 21.8653 -18.2018
53 O1a O 32.6678 -10.5783
54 C1y C 14.6538 -16.7925
55 C1y C 14.6538 -18.1808
56 C1y C 15.8552 -18.8806
57 C1x C 17.0567 -18.1808
58 C1y C 17.0567 -16.7925
59 O2x O 15.8552 -16.1037
60 C1a C 13.4526 -16.0964
61 O2a O 15.8552 -20.2691
62 O1a O 13.4502 -18.8727
63 C1a C 17.0578 -20.9632
BOND 69
1 1 14 1
2 11 31 1 #Down
3 14 12 1
4 21 32 1
5 12 7 1 #Up
6 24 33 1 #Down
7 7 8 1
8 26 34 1 #Up
9 1 2 1 #Down
10 27 35 1
11 15 16 1
12 22 36 2
13 22 17 1
14 4 37 1 #Down
15 15 17 1 #Up
16 3 38 1 #Up
17 2 3 1
18 38 39 1
19 3 4 1
20 38 40 1
21 18 19 2
22 32 41 1
23 25 41 1
24 19 20 1
25 34 42 1
26 4 5 1
27 8 9 2
28 9 10 1
29 20 21 2
30 21 24 1
31 23 22 1 #Down
32 43 44 1
33 44 45 1
34 45 46 1
35 46 47 1
36 47 48 1
37 48 43 1
38 10 11 1
39 43 49 1 #Down
40 11 18 1
41 45 50 1 #Down
42 5 6 1
43 44 51 1 #Up
44 1 6 1 #Up
45 50 52 1
46 47 30 1 #Up
47 5 53 1 #Down
48 12 16 1
49 58 51 1 #Up
50 23 24 1
51 24 25 1
52 25 26 1
53 26 27 1
54 27 28 2
55 28 23 1
56 54 55 1
57 55 56 1
58 56 57 1
59 57 58 1
60 58 59 1
61 59 54 1
62 15 13 1
63 54 60 1 #Down
64 9 29 1
65 56 61 1 #Down
66 13 1 1
67 55 62 1 #Up
68 10 30 1 #Down
69 61 63 1
|