Entry |
|
Name |
|
Formula |
C35H50O8
|
Exact mass |
598.3506
|
Mol weight |
598.77
|
Structure |
|
Reaction |
|
Pathway |
map00522 | Biosynthesis of 12-, 14- and 16-membered macrolides |
map01110 | Biosynthesis of secondary metabolites |
|
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 |
2.1.1.- 2.4.1.-
|
Brite |
Lipids [BR:br08002]
PK Polyketides
PK04 Macrolides and lactone polyketides
C11980 Avermectin A1a aglycone
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 43
1 C1z C 29.2934 -15.3928
2 O2x O 30.4102 -16.0788
3 C1y C 31.5978 -15.3941
4 C1y C 31.5985 -14.0231
5 C2x C 30.4115 -13.3370
6 C2x C 29.2239 -14.0220
7 C1x C 25.6396 -14.7068
8 C2x C 24.4429 -15.3928
9 C2y C 23.2451 -14.7015
10 C1y C 22.0476 -15.3928
11 C1y C 22.0476 -16.7758
12 C1y C 26.8360 -15.3928
13 C1x C 29.2255 -16.7860
14 O2x O 28.0366 -14.7065
15 C1y C 28.0249 -17.4723
16 C1x C 26.8376 -16.7782
17 O7x O 28.0173 -18.8478
18 C2x C 23.2485 -17.4653
19 C2x C 23.2483 -18.8444
20 C2x C 24.4408 -19.5265
21 C2y C 24.4332 -20.9033
22 C7x C 26.8256 -19.5396
23 C1y C 26.8180 -20.9163
24 C1z C 25.6265 -21.5932
25 C1y C 25.6168 -22.9635
26 C1y C 26.7989 -23.6571
27 C2y C 27.9904 -22.9802
28 C2x C 28.0001 -21.6100
29 C1a C 23.2451 -13.3185
30 O1a O 20.8499 -14.7015
31 C1a C 20.8507 -17.4687
32 C1x C 23.2336 -21.5911
33 O1a O 25.7480 -20.2060
34 O2a O 26.7892 -25.0399
35 C1a C 29.1832 -23.6801
36 O6a O 25.6291 -18.8462
37 C1a C 32.7966 -13.3321
38 C1c C 32.7952 -16.0861
39 C1a C 32.8645 -17.4689
40 C1b C 33.9933 -15.3951
41 C1a C 35.1905 -16.0872
42 O2x O 23.2125 -22.9718
43 C1a C 27.9820 -25.7398
BOND 47
1 9 10 1
2 20 21 2
3 21 24 1
4 23 22 1 #Down
5 10 11 1
6 11 18 1
7 5 6 2
8 1 6 1 #Up
9 12 16 1
10 23 24 1
11 24 25 1
12 25 26 1
13 26 27 1
14 27 28 2
15 28 23 1
16 15 13 1
17 9 29 1
18 13 1 1
19 10 30 1 #Down
20 1 14 1
21 11 31 1 #Down
22 14 12 1
23 21 32 1
24 12 7 1 #Up
25 24 33 1 #Down
26 7 8 1
27 26 34 1 #Up
28 1 2 1 #Down
29 27 35 1
30 15 16 1
31 22 36 2
32 22 17 1
33 4 37 1 #Down
34 15 17 1 #Up
35 3 38 1 #Up
36 2 3 1
37 38 39 1
38 3 4 1
39 38 40 1
40 18 19 2
41 40 41 1
42 19 20 1
43 32 42 1
44 25 42 1
45 4 5 1
46 34 43 1
47 8 9 2
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