| Entry |
|
|---|
| Name |
Avermectin A1b;
Avermectin A1a, 25-de(1-methylpropyl)-25-(1-methylethyl)-
|
|---|
| Formula |
C48H72O14
|
|---|
| Exact mass |
872.4922
|
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| Mol weight |
873.07
|
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| Structure |
|
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| Reaction |
|
|---|
| 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 |
2.4.1.-
|
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK04 Macrolides and lactone polyketides
C11968 Avermectin A1b
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 62
1 C1z C 31.4570 -13.3674
2 O2x O 32.6485 -14.0560
3 C1y C 33.8406 -13.3687
4 C1y C 33.8414 -11.9924
5 C2x C 32.6498 -11.3038
6 C2x C 31.4577 -11.9914
7 C1x C 27.8594 -12.6787
8 C2x C 26.6584 -13.3674
9 C2y C 25.4561 -12.6735
10 C1y C 24.2538 -13.3674
11 C1y C 24.2538 -14.7557
12 C1y C 29.0607 -13.3674
13 C1x C 31.4591 -14.7659
14 O2x O 30.2659 -12.6785
15 C1y C 30.2538 -15.4549
16 C1x C 29.0623 -14.7581
17 O7x O 30.2462 -16.8356
18 C2x C 25.4592 -15.4478
19 C2x C 25.4592 -16.8322
20 C2x C 26.6563 -17.5169
21 C2y C 26.6487 -18.8989
22 C7x C 29.0502 -17.5300
23 C1y C 29.0426 -18.9120
24 C1z C 27.8466 -19.5915
25 C1y C 27.8369 -20.9670
26 C1y C 29.0232 -21.6632
27 C2y C 30.2195 -20.9838
28 C2x C 30.2289 -19.6083
29 C1a C 25.4561 -11.2851
30 O2a O 23.0514 -12.6735
31 C1a C 23.1925 -15.5212
32 C1x C 25.4443 -19.5894
33 O1a O 27.6879 -18.4790
34 O2a O 29.0835 -23.0513
35 C1a C 31.4168 -21.6863
36 O6a O 27.8489 -16.6240
37 C1a C 35.0440 -11.2988
38 C1c C 35.0427 -14.0634
39 C1a C 35.0419 -15.4514
40 C1a C 36.2453 -13.3697
41 O2x O 25.4230 -20.9754
42 C1a C 30.2108 -23.7539
43 C1y C 19.4463 -13.3674
44 C1y C 19.4463 -14.7557
45 C1y C 20.6476 -15.4554
46 C1x C 21.8486 -14.7557
47 C1y C 21.8486 -13.3674
48 O2x O 20.6476 -12.6787
49 C1a C 18.2453 -12.6716
50 O2a O 20.6476 -16.8434
51 O2a O 18.2429 -15.4475
52 C1a C 21.8499 -17.5376
53 C1y C 14.6367 -16.1330
54 C1y C 14.6367 -17.5213
55 C1y C 15.8377 -18.2208
56 C1x C 17.0390 -17.5213
57 C1y C 17.0390 -16.1330
58 O2x O 15.8377 -15.4444
59 C1a C 13.4354 -15.4370
60 O2a O 15.8377 -19.6091
61 O1a O 13.4331 -18.2131
62 C1a C 17.0401 -20.3033
BOND 68
1 10 30 1 #Down
2 1 14 1
3 11 31 1 #Down
4 14 12 1
5 21 32 1
6 12 7 1 #Up
7 24 33 1 #Down
8 7 8 1
9 26 34 1 #Up
10 1 2 1 #Down
11 27 35 1
12 15 16 1
13 22 36 2
14 22 17 1
15 4 37 1 #Down
16 15 17 1 #Up
17 3 38 1 #Up
18 2 3 1
19 38 39 1
20 3 4 1
21 38 40 1
22 18 19 2
23 32 41 1
24 25 41 1
25 19 20 1
26 34 42 1
27 4 5 1
28 8 9 2
29 9 10 1
30 20 21 2
31 21 24 1
32 23 22 1 #Down
33 43 44 1
34 44 45 1
35 45 46 1
36 46 47 1
37 47 48 1
38 48 43 1
39 10 11 1
40 43 49 1 #Down
41 11 18 1
42 45 50 1 #Down
43 5 6 2
44 44 51 1 #Up
45 1 6 1 #Up
46 50 52 1
47 47 30 1 #Up
48 57 51 1 #Up
49 12 16 1
50 23 24 1
51 24 25 1
52 25 26 1
53 26 27 1
54 27 28 2
55 53 54 1
56 54 55 1
57 55 56 1
58 56 57 1
59 57 58 1
60 58 53 1
61 28 23 1
62 53 59 1 #Down
63 15 13 1
64 55 60 1 #Down
65 9 29 1
66 54 61 1 #Up
67 13 1 1
68 60 62 1
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