Entry |
|
Name |
|
Formula |
C33H46O8
|
Exact mass |
570.3193
|
Mol weight |
570.71
|
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
C11963 Avermectin B1b aglycone
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 41
1 C1z C 26.9226 -13.4851
2 O2x O 28.1090 -14.1707
3 C1y C 29.2959 -13.4864
4 C1y C 29.2965 -12.1161
5 C2x C 28.1103 -11.4304
6 C2x C 26.9231 -12.1150
7 C1x C 23.3407 -12.7994
8 C2x C 22.1446 -13.4851
9 C2y C 20.9477 -12.7942
10 C1y C 19.7506 -13.4851
11 C1y C 19.7506 -14.8674
12 C1y C 24.5365 -13.4851
13 C1x C 26.9247 -14.8776
14 O2x O 25.7365 -12.7991
15 C1y C 25.7247 -15.5635
16 C1x C 24.5380 -14.8697
17 O7x O 25.7171 -16.9382
18 C2x C 20.9509 -15.5564
19 C2x C 20.9509 -16.9348
20 C2x C 22.1428 -17.6166
21 C2y C 22.1352 -18.9926
22 C7x C 24.5263 -17.6296
23 C1y C 24.5187 -19.0057
24 C1z C 23.3276 -19.6822
25 C1y C 23.3182 -21.0517
26 C1y C 24.4994 -21.7450
27 C2y C 25.6902 -21.0684
28 C2x C 25.6999 -19.6989
29 C1a C 20.9477 -11.4119
30 O1a O 18.5535 -12.7942
31 C1a C 18.5543 -15.5598
32 C1x C 20.9360 -19.6801
33 O1a O 23.3793 -18.2957
34 O1a O 24.4897 -23.1270
35 C1a C 26.8824 -21.7680
36 O6a O 23.3302 -16.9367
37 C1a C 30.4938 -11.4254
38 C1c C 30.4925 -14.1780
39 C1a C 30.4920 -15.5601
40 C1a C 31.6899 -13.4874
41 O2x O 20.9148 -21.0601
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 1 #Up
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
|