| Entry |
|
|---|
| Name |
Avermectin A1a monosaccharide
|
|---|
| Formula |
C42H62O11
|
|---|
| Exact mass |
742.4292
|
|---|
| Mol weight |
742.9351
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| 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 |
|
|---|
| Enzyme |
2.4.1.-
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK04 Macrolides and lactone polyketides
C11982 Avermectin A1a monosaccharide
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
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| KCF data |
ATOM 53
1 C1z C 31.6368 -15.3791
2 O2x O 32.8265 -16.0667
3 C1y C 34.0168 -15.3802
4 C1y C 34.0176 -14.0062
5 C2x C 32.8278 -13.3186
6 C2x C 31.6375 -14.0049
7 C1x C 28.0447 -14.6915
8 C2x C 26.8454 -15.3791
9 C2y C 25.6449 -14.6860
10 C1y C 24.4444 -15.3791
11 C1y C 24.4444 -16.7653
12 C1y C 29.2441 -15.3791
13 C1x C 31.6389 -16.7756
14 O2x O 30.4475 -14.6912
15 C1y C 30.4355 -17.4634
16 C1x C 29.2457 -16.7677
17 O7x O 30.4279 -18.8418
18 C2x C 25.6481 -17.4564
19 C2x C 25.6481 -18.8387
20 C2x C 26.8434 -19.5221
21 C2y C 26.8358 -20.9023
22 C7x C 29.2336 -19.5355
23 C1y C 29.2260 -20.9154
24 C1z C 28.0318 -21.5939
25 C1y C 28.0221 -22.9672
26 C1y C 29.2067 -23.6625
27 C2y C 30.4011 -22.9840
28 C2x C 30.4106 -21.6104
29 C1a C 25.6449 -13.2998
30 O2a O 23.2439 -14.6860
31 C1a C 23.3150 -17.6698
32 C1x C 25.6331 -21.5915
33 O1a O 28.1532 -20.2034
34 O2a O 29.1970 -25.0484
35 C1a C 31.5967 -23.6855
36 O6a O 28.0342 -18.8405
37 C1a C 35.2184 -13.3136
38 C1c C 35.2171 -16.0738
39 C1a C 35.2163 -17.4600
40 C1b C 36.4179 -15.3815
41 C1a C 37.6178 -16.0751
42 O2x O 25.6119 -22.9756
43 C1a C 30.3925 -25.7499
44 C1y C 19.6442 -15.3791
45 C1y C 19.6442 -16.7653
46 C1y C 20.8437 -17.4637
47 C1x C 22.0429 -16.7653
48 C1y C 22.0429 -15.3791
49 O2x O 20.8437 -14.6915
50 C1a C 18.4450 -14.6842
51 O2a O 20.8437 -18.8499
52 O1a O 18.4426 -17.4561
53 C1a C 22.0442 -19.5431
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 34 43 1
38 8 9 2
39 9 10 1
40 20 21 2
41 21 24 1
42 23 22 1 #Down
43 10 11 1
44 44 45 1
45 45 46 1
46 46 47 1
47 47 48 1
48 48 49 1
49 49 44 1
50 11 18 1
51 44 50 1 #Down
52 5 6 2
53 46 51 1 #Down
54 1 6 1 #Up
55 45 52 1 #Up
56 51 53 1
57 48 30 1 #Up
58 12 16 1
|
|---|
