| Entry |
|
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| Name |
5-Oxoavermectin ''1a'' aglycone
|
|---|
| Formula |
C34H46O8
|
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| Exact mass |
582.3193
|
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| Mol weight |
582.72
|
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| Structure |
|
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| 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 |
1.14.-.-
|
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK04 Macrolides and lactone polyketides
C11978 5-Oxoavermectin ''1a'' aglycone
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 42
1 C1z C 26.3726 -13.4881
2 O2x O 27.5593 -14.1740
3 C1y C 28.7466 -13.4894
4 C1y C 28.7473 -12.1188
5 C2x C 27.5606 -11.4329
6 C2x C 26.3734 -12.1177
7 C1x C 22.7897 -12.8023
8 C2x C 21.5935 -13.4881
9 C2y C 20.3961 -12.7968
10 C1y C 19.1986 -13.4881
11 C1y C 19.1986 -14.8708
12 C1y C 23.9861 -13.4881
13 C1x C 26.3747 -14.8810
14 O2x O 25.1864 -12.8020
15 C1y C 25.1744 -15.5671
16 C1x C 23.9876 -14.8732
17 O7x O 25.1668 -16.9422
18 C2x C 20.3992 -15.5601
19 C2x C 20.3992 -16.9388
20 C2x C 21.5914 -17.6208
21 C2y C 21.5839 -18.9972
22 C7x C 23.9756 -17.6338
23 C1y C 23.9680 -19.0103
24 C1z C 22.7769 -19.6870
25 C1y C 22.7672 -21.0569
26 C5x C 23.9487 -21.7503
27 C2y C 25.1401 -21.0736
28 C2x C 25.1495 -19.7037
29 C1a C 20.3961 -11.4144
30 O1a O 18.0015 -12.7968
31 C1a C 18.0022 -15.5635
32 C1x C 20.3843 -19.6849
33 O1a O 22.8283 -18.3001
34 O5x O 23.9390 -23.1327
35 C1a C 26.3326 -21.7733
36 O6a O 22.7792 -16.9407
37 C1a C 29.9450 -11.4279
38 C1c C 29.9437 -14.1813
39 C1a C 29.9430 -15.5637
40 C1b C 31.1414 -13.4905
41 C1a C 32.3384 -14.1823
42 O2x O 20.3632 -21.0652
BOND 46
1 8 9 2
2 9 10 1
3 20 21 2
4 21 24 1
5 23 22 1 #Down
6 10 11 1
7 11 18 1
8 5 6 2
9 1 6 1 #Up
10 12 16 1
11 23 24 1
12 24 25 1
13 25 26 1
14 26 27 1
15 27 28 2
16 28 23 1
17 15 13 1
18 9 29 1
19 13 1 1
20 10 30 1 #Down
21 1 14 1
22 11 31 1 #Down
23 14 12 1
24 21 32 1
25 12 7 1 #Up
26 24 33 1 #Down
27 7 8 1
28 26 34 2
29 1 2 1 #Down
30 27 35 1
31 15 16 1
32 22 36 2
33 22 17 1
34 4 37 1 #Down
35 15 17 1 #Up
36 3 38 1 #Up
37 2 3 1
38 38 39 1
39 3 4 1
40 38 40 1
41 18 19 2
42 40 41 1
43 19 20 1
44 32 42 1
45 25 42 1
46 4 5 1
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