| Entry |
|
|---|
| Name |
Avermectin B1a monosaccharide
|
|---|
| Formula |
C41H60O11
|
|---|
| Exact mass |
728.4136
|
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| Mol weight |
728.9085
|
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| Structure |
|
|---|
| Reaction |
|
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| Pathway |
| map00522 | Biosynthesis of 12-, 14- and 16-membered macrolides |
| map01110 | Biosynthesis of secondary metabolites |
|
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| Module |
| M00777 | Avermectin biosynthesis, 2-methylbutanoyl-CoA/isobutyryl-CoA => 6,8a-Seco-6,8a-deoxy-5-oxoavermectin 1a/1b aglycone => avermectin A1a/B1a/A1b/B1b |
|
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| Enzyme |
2.4.1.-
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK04 Macrolides and lactone polyketides
C11981 Avermectin B1a monosaccharide
|
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| Other DBs |
|
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| KCF data |
ATOM 52
1 C1z C 31.5973 -15.7606
2 O2x O 32.7870 -16.4481
3 C1y C 33.9773 -15.7616
4 C1y C 33.9778 -14.3875
5 C2x C 32.7883 -13.6999
6 C2x C 31.5979 -14.3865
7 C1x C 28.0054 -15.0730
8 C2x C 26.8061 -15.7606
9 C2y C 25.6059 -15.0675
10 C1y C 24.4054 -15.7606
11 C1y C 24.4054 -17.1464
12 C1y C 29.2046 -15.7606
13 C1x C 31.5994 -17.1567
14 O2x O 30.4079 -15.0725
15 C1y C 30.3961 -17.8448
16 C1x C 29.2061 -17.1488
17 O7x O 30.3885 -19.2231
18 C2x C 25.6090 -17.8374
19 C2x C 25.6090 -19.2196
20 C2x C 26.8042 -19.9033
21 C2y C 26.7966 -21.2832
22 C7x C 29.1944 -19.9164
23 C1y C 29.1868 -21.2965
24 C1z C 27.9923 -21.9747
25 C1y C 27.9829 -23.3482
26 C1y C 29.1674 -24.0431
27 C2y C 30.3615 -23.3647
28 C2x C 30.3712 -21.9914
29 C1a C 25.6059 -13.6813
30 O2a O 23.2050 -15.0675
31 C1a C 23.2758 -17.9811
32 C1x C 25.5941 -21.9726
33 O1a O 28.1140 -20.5843
34 O1a O 29.1577 -25.4293
35 C1a C 31.5570 -24.0662
36 O6a O 27.9950 -19.2217
37 C1a C 35.1785 -13.6952
38 C1c C 35.1772 -16.4552
39 C1a C 35.1767 -17.8414
40 C1b C 36.3779 -15.7627
41 C1a C 37.5781 -16.4563
42 O2x O 25.6429 -23.3566
43 C1y C 19.6165 -15.7606
44 C1y C 19.6165 -17.1464
45 C1y C 20.8156 -17.8450
46 C1x C 22.0150 -17.1464
47 C1y C 22.0150 -15.7606
48 O2x O 20.8156 -15.0730
49 C1a C 18.4171 -15.0656
50 O2a O 20.8156 -19.2312
51 O1a O 18.4148 -17.8372
52 C1a C 22.0161 -19.9240
BOND 57
1 12 16 1
2 23 24 1
3 24 25 1
4 25 26 1
5 26 27 1
6 27 28 2
7 28 23 1
8 15 13 1
9 9 29 1
10 13 1 1
11 10 30 1 #Down
12 1 14 1
13 11 31 1 #Down
14 14 12 1
15 21 32 1
16 12 7 1 #Up
17 24 33 1 #Down
18 7 8 1
19 26 34 1 #Up
20 1 2 1 #Down
21 27 35 1
22 15 16 1
23 22 36 2
24 22 17 1
25 4 37 1 #Down
26 15 17 1 #Up
27 3 38 1 #Up
28 2 3 1
29 38 39 1
30 3 4 1
31 38 40 1
32 18 19 2
33 40 41 1
34 19 20 1
35 32 42 1
36 25 42 1
37 4 5 1
38 8 9 2
39 9 10 1
40 20 21 2
41 21 24 1
42 23 22 1 #Down
43 43 44 1
44 44 45 1
45 45 46 1
46 46 47 1
47 47 48 1
48 48 43 1
49 10 11 1
50 43 49 1 #Down
51 11 18 1
52 45 50 1 #Down
53 5 6 2
54 44 51 1 #Up
55 1 6 1 #Up
56 50 52 1
57 47 30 1 #Up
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