| Entry |
|
|---|
| Name |
Avermectin A1b 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
C11966 Avermectin A1b monosaccharide
|
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| Other DBs |
|
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| LinkDB |
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| KCF data |
ATOM 52
1 C1z C 32.2574 -15.3852
2 O2x O 33.4467 -16.0727
3 C1y C 34.6368 -15.3865
4 C1y C 34.6376 -14.0126
5 C2x C 33.4480 -13.3251
6 C2x C 32.2579 -14.0115
7 C1x C 28.6659 -14.6977
8 C2x C 27.4666 -15.3852
9 C2y C 26.2663 -14.6922
10 C1y C 25.0662 -15.3852
11 C1y C 25.0662 -16.7712
12 C1y C 29.8649 -15.3852
13 C1x C 32.2595 -16.7814
14 O2x O 31.0681 -14.6974
15 C1y C 31.0563 -17.4692
16 C1x C 29.8664 -16.7736
17 O7x O 31.0487 -18.8476
18 C2x C 26.2697 -17.4621
19 C2x C 26.2694 -18.8442
20 C2x C 27.4645 -19.5278
21 C2y C 27.4569 -20.9075
22 C7x C 29.8544 -19.5409
23 C1y C 29.8468 -20.9206
24 C1z C 28.6528 -21.5989
25 C1y C 28.6431 -22.9721
26 C1y C 29.8277 -23.6672
27 C2y C 31.0217 -22.9888
28 C2x C 31.0314 -21.6157
29 C1a C 26.2663 -13.3065
30 O2a O 23.8659 -14.6922
31 C1a C 23.9367 -17.6755
32 C1x C 26.2548 -21.5968
33 O1a O 28.7742 -20.2087
34 O2a O 29.8180 -25.0529
35 C1a C 32.2170 -23.6902
36 O6a O 28.6554 -18.8460
37 C1a C 35.8381 -13.3201
38 C1c C 35.8368 -16.0800
39 C1a C 35.8360 -17.4658
40 C1a C 37.0374 -15.3876
41 O2x O 26.2335 -22.9805
42 C1a C 31.0133 -25.7543
43 C1y C 20.2668 -15.3852
44 C1y C 20.2668 -16.7712
45 C1y C 21.4658 -17.4697
46 C1x C 22.6651 -16.7712
47 C1y C 22.6651 -15.3852
48 O2x O 21.4658 -14.6977
49 C1a C 19.0676 -14.6906
50 O2a O 21.4658 -18.8554
51 O1a O 19.0652 -17.4618
52 C1a C 22.6661 -19.5484
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 32 41 1
34 25 41 1
35 19 20 1
36 34 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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