Entry |
|
Name |
Avermectin B2a 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
C11973 Avermectin B2a monosaccharide
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 53
1 C1z C 31.5998 -16.4211
2 O2x O 32.7894 -17.1088
3 C1y C 33.9799 -16.4224
4 C1y C 33.9807 -15.0481
5 C1y C 32.7908 -14.3604
6 C1x C 31.6003 -15.0470
7 C1x C 28.0072 -15.7334
8 C2x C 26.8076 -16.4211
9 C2y C 25.6070 -15.7279
10 C1y C 24.4066 -16.4211
11 C1y C 24.4066 -17.8075
12 C1y C 29.2066 -16.4211
13 C1x C 31.6019 -17.8177
14 O2x O 30.4101 -15.7331
15 C1y C 30.3983 -18.5057
16 C1x C 29.2082 -17.8099
17 O7x O 30.3907 -19.8845
18 C2x C 25.6104 -18.4986
19 C2x C 25.6101 -19.8811
20 C2x C 26.8055 -20.5649
21 C2y C 26.7979 -21.9450
22 C7x C 29.1961 -20.5780
23 C1y C 29.1885 -21.9581
24 C1z C 27.9941 -22.6366
25 C1y C 27.9845 -24.0102
26 C1y C 29.1694 -24.7055
27 C2y C 30.3638 -24.0269
28 C2x C 30.3735 -22.6534
29 C1a C 25.6070 -14.3418
30 O2a O 23.2059 -15.7279
31 C1a C 23.2767 -18.6420
32 C1x C 25.5954 -22.6345
33 O1a O 28.0455 -21.2460
34 O1a O 29.1597 -26.0916
35 C1a C 31.5594 -24.7285
36 O6a O 27.9968 -19.8829
37 C1a C 35.1816 -14.3554
38 C1c C 35.1803 -17.1161
39 C1a C 35.1795 -18.5023
40 C1b C 36.3812 -16.4235
41 C1a C 37.5813 -17.1172
42 O2x O 25.6442 -24.0185
43 C1y C 19.6165 -16.4211
44 C1y C 19.6165 -17.8075
45 C1y C 20.8161 -18.5062
46 C1x C 22.0155 -17.8075
47 C1y C 22.0155 -16.4211
48 O2x O 20.8161 -15.7334
49 C1a C 18.4172 -15.7263
50 O2a O 20.8161 -19.8924
51 O1a O 18.4148 -18.4984
52 C1a C 22.0168 -20.5856
53 O1a O 32.7915 -12.9740
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 40 41 1
33 19 20 1
34 32 42 1
35 25 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
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