 | | COMPOUND: C11972 | |
| Entry |
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| Name |
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| Formula |
C35H52O9
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| Exact mass |
616.3611
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| Mol weight |
616.782
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| Structure |
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| Reaction |
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| Pathway |
| map00522 | Biosynthesis of 12-, 14- and 16-membered macrolides |
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| Enzyme |
2.1.1.- 2.4.1.-
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK04 Macrolides and lactone polyketides
C11972 Avermectin A2a aglycone
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| Other DBs |
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| KCF data |
ATOM 44
1 C1z C 29.2400 -16.1262
2 O2x O 30.4271 -16.8124
3 C1y C 31.6149 -16.1273
4 C1y C 31.6157 -14.7562
5 C1y C 30.4284 -14.0700
6 C1x C 29.2406 -14.7549
7 C1x C 25.6554 -15.4400
8 C2x C 24.4584 -16.1262
9 C2y C 23.2603 -15.4345
10 C1y C 22.0626 -16.1262
11 C1y C 22.0626 -17.5096
12 C1y C 26.8521 -16.1262
13 C1x C 29.2421 -17.5198
14 O2x O 28.0530 -15.4398
15 C1y C 28.0412 -18.2062
16 C1x C 26.8536 -17.5119
17 O7x O 28.0336 -19.5818
18 C2x C 23.2637 -18.1992
19 C2x C 23.2635 -19.5786
20 C2x C 24.4563 -20.2606
21 C2y C 24.4487 -21.6380
22 C7x C 26.8416 -20.2740
23 C1y C 26.8340 -21.6511
24 C1z C 25.6423 -22.3281
25 C1y C 25.6326 -23.6987
26 C1y C 26.8150 -24.3925
27 C2y C 28.0067 -23.7154
28 C2x C 28.0164 -22.3446
29 C1a C 23.2603 -14.0512
30 O1a O 20.8645 -15.4345
31 C1a C 20.8653 -18.2026
32 C1x C 23.2488 -22.3258
33 O1a O 25.6937 -20.9406
34 O2a O 26.8053 -25.7756
35 C1a C 29.1998 -24.4155
36 O6a O 25.6449 -19.5805
37 C1a C 32.8140 -14.0650
38 C1c C 32.8127 -16.8195
39 C1a C 32.8119 -18.2028
40 C1b C 34.0110 -16.1286
41 C1a C 35.2085 -16.8208
42 O2x O 23.2277 -23.7070
43 C1a C 27.9984 -26.4756
44 O1a O 30.4292 -12.6866
BOND 48
1 20 21 2
2 21 24 1
3 23 22 1 #Down
4 10 11 1
5 11 18 1
6 5 6 1
7 1 6 1 #Up
8 12 16 1
9 23 24 1
10 24 25 1
11 25 26 1
12 26 27 1
13 27 28 2
14 28 23 1
15 15 13 1
16 9 29 1
17 13 1 1
18 10 30 1 #Down
19 1 14 1
20 11 31 1 #Down
21 14 12 1
22 21 32 1
23 12 7 1 #Up
24 24 33 1 #Down
25 7 8 1
26 26 34 1 #Up
27 1 2 1 #Down
28 27 35 1
29 15 16 1
30 22 36 2
31 22 17 1
32 4 37 1 #Down
33 15 17 1 #Up
34 3 38 1 #Up
35 2 3 1
36 38 39 1
37 3 4 1
38 38 40 1
39 18 19 2
40 40 41 1
41 19 20 1
42 32 42 1
43 25 42 1
44 4 5 1
45 34 43 1
46 8 9 2
47 5 44 1 #Down
48 9 10 1
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