| Entry |
|
|---|
| Name |
Avermectin A2a;
Avermectin A1a, 22,23-dihydro-23-hydroxy-, (23S)-
|
|---|
| Formula |
C49H76O15
|
|---|
| Exact mass |
904.5184
|
|---|
| Mol weight |
905.12
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00522 | Biosynthesis of 12-, 14- and 16-membered macrolides |
|
|---|
| Enzyme |
2.4.1.-
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK04 Macrolides and lactone polyketides
C11976 Avermectin A2a
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 64
1 C1y C 14.0815 -16.7736
2 C1y C 14.0815 -18.1620
3 C1y C 15.2830 -18.8618
4 C1x C 16.4843 -18.1620
5 C1y C 16.4843 -16.7736
6 O2x O 15.2830 -16.0848
7 C1a C 12.8802 -16.0774
8 O2a O 15.2830 -20.2505
9 O1a O 12.8778 -18.8540
10 C1a C 16.4857 -20.9448
11 C1z C 30.9059 -14.0073
12 O2x O 32.0975 -14.6961
13 C1y C 33.2899 -14.0084
14 C1y C 33.2906 -12.6320
15 C1y C 32.0988 -11.9432
16 C1x C 30.9064 -12.6307
17 C1x C 27.3075 -13.3185
18 C2x C 26.1060 -14.0073
19 C2y C 24.9034 -13.3130
20 C1y C 23.7010 -14.0073
21 C1y C 23.7010 -15.3960
22 C1y C 28.5088 -14.0073
23 C1x C 30.9080 -15.4062
24 O2x O 29.7143 -13.3182
25 C1y C 29.7025 -16.0953
26 C1x C 28.5104 -15.3983
27 O7x O 29.6949 -17.4761
28 C2x C 24.9068 -16.0882
29 C2x C 24.9065 -17.4729
30 C2x C 26.1039 -18.1575
31 C2y C 26.0963 -19.5401
32 C7x C 28.4983 -18.1709
33 C1y C 28.4907 -19.5533
34 C1z C 27.2944 -20.2329
35 C1y C 27.2847 -21.6087
36 C1y C 28.4716 -22.3051
37 C2y C 29.6679 -21.6255
38 C2x C 29.6776 -20.2494
39 C1a C 24.9034 -11.9246
40 O2a O 22.4984 -13.3130
41 C1a C 22.4992 -16.3016
42 C1x C 24.8218 -20.2305
43 O1a O 27.2758 -19.1900
44 O2a O 28.4619 -23.6935
45 C1a C 30.8655 -22.3282
46 O6a O 27.2970 -17.1247
47 C1a C 34.4935 -11.9382
48 C1c C 34.4922 -14.7032
49 C1a C 34.4914 -16.0919
50 C1b C 35.6951 -14.0097
51 C1a C 36.8972 -14.7045
52 O2x O 24.8706 -21.6171
53 C1a C 29.6595 -24.3962
54 C1y C 18.8924 -14.0073
55 C1y C 18.8924 -15.3960
56 C1y C 20.0937 -16.0955
57 C1x C 21.2953 -15.3960
58 C1y C 21.2953 -14.0073
59 O2x O 20.0937 -13.3185
60 C1a C 17.6909 -13.3112
61 O2a O 20.0937 -17.4842
62 O2a O 17.6885 -16.0879
63 C1a C 21.2963 -18.1785
64 O1a O 32.0996 -10.5546
BOND 70
1 30 31 2
2 31 34 1
3 33 32 1 #Down
4 11 16 1 #Up
5 3 8 1 #Down
6 22 17 1 #Up
7 17 18 1
8 2 3 1
9 2 9 1 #Up
10 33 34 1
11 34 35 1
12 35 36 1
13 36 37 1
14 37 38 2
15 38 33 1
16 3 4 1
17 19 39 1
18 8 10 1
19 20 40 1 #Down
20 18 19 2
21 21 41 1 #Down
22 19 20 1
23 31 42 1
24 20 21 1
25 34 43 1 #Down
26 21 28 1
27 36 44 1 #Up
28 4 5 1
29 37 45 1
30 5 6 1
31 32 46 2
32 6 1 1
33 14 47 1 #Down
34 22 26 1
35 13 48 1 #Up
36 25 23 1
37 48 49 1
38 23 11 1
39 48 50 1
40 11 24 1
41 50 51 1
42 24 22 1
43 42 52 1
44 35 52 1
45 44 53 1
46 1 7 1 #Down
47 1 2 1
48 25 26 1
49 32 27 1
50 25 27 1 #Up
51 11 12 1 #Down
52 54 55 1
53 55 56 1
54 56 57 1
55 57 58 1
56 58 59 1
57 59 54 1
58 12 13 1
59 54 60 1 #Down
60 28 29 2
61 56 61 1 #Down
62 29 30 1
63 55 62 1 #Up
64 13 14 1
65 61 63 1
66 58 40 1 #Up
67 14 15 1
68 15 64 1 #Down
69 15 16 1
70 5 62 1 #Up
|
|---|
