Entry |
|
Name |
Avermectin A2b monosaccharide
|
Formula |
C41H62O12
|
Exact mass |
746.4241
|
Mol weight |
746.92
|
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
C11958 Avermectin A2b monosaccharide
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 53
1 C1z C 32.2674 -16.1201
2 O2x O 33.4572 -16.8077
3 C1y C 34.6475 -16.1212
4 C1y C 34.6483 -14.7472
5 C1y C 33.4585 -14.0596
6 C1x C 32.2682 -14.7459
7 C1x C 28.6753 -15.4325
8 C2x C 27.4761 -16.1201
9 C2y C 26.2756 -15.4270
10 C1y C 25.0751 -16.1201
11 C1y C 25.0751 -17.5063
12 C1y C 29.8748 -16.1201
13 C1x C 32.2695 -17.5166
14 O2x O 31.0782 -15.4322
15 C1y C 31.0661 -18.2044
16 C1x C 29.8763 -17.5087
17 O7x O 31.0585 -19.5828
18 C2x C 26.2787 -18.1974
19 C2x C 26.2787 -19.5797
20 C2x C 27.4740 -20.2631
21 C2y C 27.4664 -21.6433
22 C7x C 29.8643 -20.2765
23 C1y C 29.8567 -21.6564
24 C1z C 28.6625 -22.3349
25 C1y C 28.6528 -23.7083
26 C1y C 29.8373 -24.4035
27 C2y C 31.0315 -23.7250
28 C2x C 31.0412 -22.3514
29 C1a C 26.2756 -14.0410
30 O2a O 23.8748 -15.4270
31 C1a C 24.0856 -18.3408
32 C1x C 26.2638 -22.3325
33 O1a O 28.7139 -20.9444
34 O2a O 29.8276 -25.7894
35 C1a C 32.2273 -24.4265
36 O6a O 28.6648 -19.5815
37 C1a C 35.8490 -14.0546
38 C1c C 35.8477 -16.8148
39 C1a C 35.8470 -18.2010
40 C1a C 37.0485 -16.1225
41 O2x O 26.2426 -23.7166
42 C1a C 31.0232 -26.4909
43 C1y C 20.2749 -16.1201
44 C1y C 20.2749 -17.5063
45 C1y C 21.4743 -18.2047
46 C1x C 22.6735 -17.5063
47 C1y C 22.6735 -16.1201
48 O2x O 21.4743 -15.4325
49 C1a C 19.0757 -15.4252
50 O2a O 21.4743 -19.5909
51 O1a O 19.0733 -18.1971
52 C1a C 22.6748 -20.2841
53 O1a O 33.4590 -12.6734
BOND 58
1 23 24 1
2 24 25 1
3 25 26 1
4 26 27 1
5 27 28 2
6 28 23 1
7 15 13 1
8 9 29 1
9 13 1 1
10 10 30 1 #Down
11 1 14 1
12 11 31 1 #Down
13 14 12 1
14 21 32 1
15 12 7 1 #Up
16 24 33 1 #Down
17 7 8 1
18 26 34 1 #Up
19 1 2 1 #Down
20 27 35 1
21 15 16 1
22 22 36 2
23 22 17 1
24 4 37 1 #Down
25 15 17 1 #Up
26 3 38 1 #Up
27 2 3 1
28 38 39 1
29 3 4 1
30 38 40 1
31 18 19 2
32 32 41 1
33 25 41 1
34 19 20 1
35 34 42 1
36 4 5 1
37 8 9 2
38 9 10 1
39 20 21 2
40 21 24 1
41 23 22 1 #Down
42 43 44 1
43 44 45 1
44 45 46 1
45 46 47 1
46 47 48 1
47 48 43 1
48 10 11 1
49 43 49 1 #Down
50 11 18 1
51 45 50 1 #Down
52 5 6 1
53 44 51 1 #Up
54 1 6 1 #Up
55 50 52 1
56 47 30 1 #Up
57 5 53 1 #Down
58 12 16 1
|