| Entry |
|
|---|
| Name |
5-Oxoavermectin ''1b'' aglycone
|
|---|
| Formula |
C33H44O8
|
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| Exact mass |
568.3036
|
|---|
| Mol weight |
568.6977
|
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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
C11962 5-Oxoavermectin ''1b'' aglycone
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| Other DBs |
|
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| KCF data |
ATOM 41
1 C1z C 26.9185 -13.4849
2 O2x O 28.1047 -14.1705
3 C1y C 29.2916 -13.4859
4 C1y C 29.2924 -12.1157
5 C2x C 28.1060 -11.4300
6 C2x C 26.9191 -12.1146
7 C1x C 23.3367 -12.7992
8 C2x C 22.1406 -13.4849
9 C2y C 20.9435 -12.7937
10 C1y C 19.7467 -13.4849
11 C1y C 19.7467 -14.8669
12 C1y C 24.5324 -13.4849
13 C1x C 26.9206 -14.8771
14 O2x O 25.7324 -12.7987
15 C1y C 25.7207 -15.5633
16 C1x C 24.5340 -14.8693
17 O7x O 25.7131 -16.9377
18 C2x C 20.9469 -15.5560
19 C2x C 20.9466 -16.9343
20 C2x C 22.1385 -17.6161
21 C2y C 22.1309 -18.9921
22 C7x C 24.5220 -17.6291
23 C1y C 24.5144 -19.0054
24 C1z C 23.3236 -19.6817
25 C1y C 23.3139 -21.0514
26 C5x C 24.4953 -21.7444
27 C2y C 25.6862 -21.0679
28 C2x C 25.6958 -19.6984
29 C1a C 20.9435 -11.4115
30 O1a O 18.5496 -12.7937
31 C1a C 18.5504 -15.5596
32 C1x C 20.9320 -19.6796
33 O1a O 23.3750 -18.2952
34 O5x O 24.4857 -23.1267
35 C1a C 26.8783 -21.7674
36 O6a O 23.3262 -16.9364
37 C1a C 30.4897 -11.4253
38 C1c C 30.4884 -14.1776
39 C1a C 30.4876 -15.5599
40 C1a C 31.6858 -13.4870
41 O2x O 20.9109 -21.0598
BOND 45
1 4 5 1
2 8 9 2
3 9 10 1
4 20 21 2
5 21 24 1
6 23 22 1 #Down
7 10 11 1
8 11 18 1
9 5 6 2
10 1 6 1 #Up
11 12 16 1
12 23 24 1
13 24 25 1
14 25 26 1
15 26 27 1
16 27 28 2
17 28 23 1
18 15 13 1
19 9 29 1
20 13 1 1
21 10 30 1 #Down
22 1 14 1
23 11 31 1 #Down
24 14 12 1
25 21 32 1
26 12 7 1 #Up
27 24 33 1 #Down
28 7 8 1
29 26 34 2
30 1 2 1 #Down
31 27 35 1
32 15 16 1
33 22 36 2
34 22 17 1
35 4 37 1 #Down
36 15 17 1 #Up
37 3 38 1 #Up
38 2 3 1
39 38 39 1
40 3 4 1
41 38 40 1
42 18 19 2
43 32 41 1
44 25 41 1
45 19 20 1
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