| Entry |
|
|---|
| Name |
|
|---|
| Formula |
C49H74O14
|
|---|
| Exact mass |
886.5079
|
|---|
| Mol weight |
887.10
|
|---|
| Structure |
|
|---|
| Sequence |
0 2mk 1 Mtd 2 Man 3 Mak 4 Mak 5 Mad 6 Mtk 7 Mtd 8 Mad
9 Mtn 10 Man 11 Mtd 12 Man |
|---|
| Gene |
|
|---|
| Organism |
Actinomycetes; Streptomyces avermitilis [GN: sma] |
|---|
| Type |
PK |
|---|
| 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 |
2.4.1.-
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK04 Macrolides and lactone polyketides
C11984 Avermectin A1a
Secondary metabolites in pathway maps [br08011.html]
Biosynthetic pathways and modules of secondary metabolites
C11984
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 63
1 C1y C 18.0716 -15.5543
2 C1y C 18.0716 -16.9425
3 C1y C 19.2728 -17.6422
4 C1x C 20.4742 -16.9425
5 C1y C 20.4742 -15.5543
6 O2x O 19.2728 -14.8655
7 C1a C 16.8702 -14.8582
8 O2a O 19.2728 -19.0307
9 O1a O 16.8678 -17.6344
10 C1a C 20.4752 -19.7247
11 C1z C 34.9637 -12.7883
12 O2x O 36.0854 -13.4770
13 C1y C 37.2776 -12.7894
14 C1y C 37.2782 -11.4132
15 C2x C 36.0867 -10.7245
16 C2x C 34.9642 -11.4119
17 C1x C 31.2958 -12.0996
18 C2x C 30.0944 -12.7883
19 C2y C 28.8922 -12.0941
20 C1y C 27.6897 -12.7883
21 C1y C 27.6897 -14.1768
22 C1y C 32.4969 -12.7883
23 C1x C 34.8958 -14.1870
24 O2x O 33.7023 -12.0993
25 C1y C 33.6905 -14.8760
26 C1x C 32.4985 -14.1792
27 O7x O 33.6828 -16.2566
28 C2x C 28.8953 -14.8689
29 C2x C 28.8953 -16.2535
30 C2x C 30.0925 -16.9380
31 C2y C 30.0849 -18.3205
32 C7x C 32.4867 -16.9514
33 C1y C 32.4791 -18.3336
34 C1z C 31.2826 -19.0131
35 C1y C 31.2732 -20.3888
36 C1y C 32.4597 -21.0851
37 C2y C 33.6558 -20.4056
38 C2x C 33.6655 -19.0297
39 C1a C 28.8922 -10.7056
40 O2a O 26.4872 -12.0941
41 C1a C 26.4880 -15.1524
42 C1x C 28.8804 -19.0108
43 O1a O 31.3343 -17.6205
44 O2a O 32.4499 -22.4733
45 C1a C 34.8533 -21.1082
46 O6a O 31.2853 -16.2553
47 C1a C 38.4809 -10.7195
48 C1c C 38.4796 -13.4841
49 C1a C 38.4790 -14.8726
50 C1b C 39.6823 -12.7907
51 C1a C 40.8845 -13.4854
52 O2x O 28.8591 -20.3972
53 C1a C 33.6474 -23.1760
54 C1y C 22.8817 -12.7883
55 C1y C 22.8817 -14.1768
56 C1y C 24.0828 -14.8763
57 C1x C 25.2843 -14.1768
58 C1y C 25.2843 -12.7883
59 O2x O 24.0828 -12.0996
60 C1a C 21.6803 -12.0922
61 O2a O 24.0828 -16.2648
62 O2a O 21.6779 -14.8687
63 C1a C 25.2853 -16.9590
BOND 69
1 15 16 2
2 30 31 2
3 31 34 1
4 33 32 1 #Down
5 11 16 1 #Up
6 3 8 1 #Down
7 22 17 1 #Up
8 17 18 1
9 2 3 1
10 2 9 1 #Up
11 33 34 1
12 34 35 1
13 35 36 1
14 36 37 1
15 37 38 2
16 38 33 1
17 3 4 1
18 19 39 1
19 8 10 1
20 20 40 1 #Down
21 18 19 2
22 21 41 1 #Down
23 19 20 1
24 31 42 1
25 20 21 1
26 34 43 1 #Down
27 21 28 1
28 36 44 1 #Up
29 4 5 1
30 37 45 1
31 5 6 1
32 32 46 2
33 6 1 1
34 14 47 1 #Down
35 22 26 1
36 13 48 1 #Up
37 25 23 1
38 48 49 1
39 23 11 1
40 48 50 1
41 11 24 1
42 50 51 1
43 24 22 1
44 42 52 1
45 35 52 1
46 44 53 1
47 1 7 1 #Down
48 1 2 1
49 25 26 1
50 32 27 1
51 25 27 1 #Up
52 11 12 1 #Down
53 54 55 1
54 55 56 1
55 56 57 1
56 57 58 1
57 58 59 1
58 59 54 1
59 12 13 1
60 54 60 1 #Down
61 28 29 2
62 56 61 1 #Down
63 29 30 1
64 55 62 1 #Up
65 13 14 1
66 61 63 1
67 58 40 1 #Up
68 14 15 1
69 5 62 1 #Up
|
|---|
