| Entry |
|
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| Name |
|
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| Formula |
C48H72O14
|
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| Exact mass |
872.4922
|
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| Mol weight |
873.07
|
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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 |
2.4.1.-
|
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK04 Macrolides and lactone polyketides
C11983 Avermectin B1a
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 62
1 C1y C 18.0978 -15.8836
2 C1y C 18.0978 -17.2707
3 C1y C 19.2979 -17.9699
4 C1x C 20.4981 -17.2707
5 C1y C 20.4981 -15.8836
6 O2x O 19.2979 -15.1957
7 C1a C 16.8977 -15.1886
8 O2a O 19.2979 -19.3567
9 O1a O 16.8954 -17.9620
10 C1a C 20.4992 -20.0503
11 C1z C 34.8925 -13.1207
12 O2x O 36.0829 -13.8088
13 C1y C 37.2740 -13.1218
14 C1y C 37.2747 -11.7467
15 C2x C 36.0842 -11.0586
16 C2x C 34.8931 -11.7457
17 C1x C 31.2983 -12.4326
18 C2x C 30.0980 -13.1207
19 C2y C 28.8968 -12.4271
20 C1y C 27.6958 -13.1207
21 C1y C 27.6958 -14.5075
22 C1y C 32.4982 -13.1207
23 C1x C 34.8946 -14.5178
24 O2x O 33.7023 -12.4321
25 C1y C 33.6905 -15.2064
26 C1x C 32.4998 -14.5099
27 O7x O 33.6829 -16.5856
28 C2x C 28.9002 -15.1991
29 C2x C 28.8999 -16.5822
30 C2x C 30.0959 -17.2663
31 C2y C 30.0883 -18.6471
32 C7x C 32.4877 -17.2794
33 C1y C 32.4801 -18.6604
34 C1z C 31.2852 -19.3391
35 C1y C 31.2755 -20.7135
36 C1y C 32.4610 -21.4090
37 C2y C 33.6559 -20.7301
38 C2x C 33.6656 -19.3559
39 C1a C 28.8968 -11.0400
40 O2a O 26.4944 -12.4271
41 C1a C 26.4952 -15.3424
42 C1x C 28.8852 -19.3370
43 O1a O 31.3364 -18.2278
44 O1a O 32.4513 -22.7962
45 C1a C 34.8522 -21.4321
46 O6a O 31.3578 -16.3743
47 C1a C 38.4761 -11.0539
48 C1c C 38.4748 -13.8157
49 C1a C 38.4740 -15.2030
50 C1b C 39.6764 -13.1228
51 C1a C 40.8771 -13.8168
52 O2x O 28.8640 -20.7219
53 C1y C 22.9032 -13.1207
54 C1y C 22.9032 -14.5075
55 C1y C 24.1034 -15.2067
56 C1x C 25.3034 -14.5075
57 C1y C 25.3034 -13.1207
58 O2x O 24.1034 -12.4326
59 C1a C 21.7033 -12.4253
60 O2a O 24.1034 -16.5937
61 O2a O 21.7010 -15.1988
62 C1a C 25.3048 -17.2870
BOND 68
1 14 15 1
2 15 16 2
3 30 31 2
4 31 34 1
5 33 32 1 #Down
6 11 16 1 #Up
7 3 8 1 #Down
8 22 17 1 #Up
9 17 18 1
10 2 3 1
11 2 9 1 #Up
12 33 34 1
13 34 35 1
14 35 36 1
15 36 37 1
16 37 38 2
17 38 33 1
18 3 4 1
19 19 39 1
20 8 10 1
21 20 40 1 #Down
22 18 19 2
23 21 41 1 #Down
24 19 20 1
25 31 42 1
26 20 21 1
27 34 43 1 #Down
28 21 28 1
29 36 44 1 #Up
30 4 5 1
31 37 45 1
32 5 6 1
33 32 46 2
34 6 1 1
35 14 47 1 #Down
36 22 26 1
37 13 48 1 #Up
38 25 23 1
39 48 49 1
40 23 11 1
41 48 50 1
42 11 24 1
43 50 51 1
44 24 22 1
45 42 52 1
46 35 52 1
47 1 7 1 #Down
48 1 2 1
49 25 26 1
50 32 27 1
51 25 27 1 #Up
52 53 54 1
53 54 55 1
54 55 56 1
55 56 57 1
56 57 58 1
57 58 53 1
58 11 12 1 #Down
59 53 59 1 #Down
60 12 13 1
61 55 60 1 #Down
62 28 29 2
63 54 61 1 #Up
64 29 30 1
65 60 62 1
66 57 40 1 #Up
67 13 14 1
68 5 61 1 #Up
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