 | | COMPOUND: C11967 | |
| Entry |
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| Name |
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| Formula |
C47H70O14
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| Exact mass |
858.4766
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| Mol weight |
859.0503
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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
C11967 Avermectin B1b
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| Other DBs |
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| KCF data |
ATOM 61
1 C1z C 34.6384 -15.7444
2 O2x O 35.8299 -16.4330
3 C1y C 37.0220 -15.7455
4 C1y C 37.0225 -14.3695
5 C2x C 35.8312 -13.6809
6 C2x C 34.6389 -14.3682
7 C1x C 31.0410 -15.0558
8 C2x C 29.8397 -15.7444
9 C2y C 28.6377 -15.0503
10 C1y C 27.4354 -15.7444
11 C1y C 27.4354 -17.1327
12 C1y C 32.2419 -15.7444
13 C1x C 34.6405 -17.1429
14 O2x O 33.4471 -15.0555
15 C1y C 33.4353 -17.8318
16 C1x C 32.2435 -17.1351
17 O7x O 33.4277 -19.2122
18 C2x C 28.6408 -17.8247
19 C2x C 28.6408 -19.2091
20 C2x C 29.8379 -19.8935
21 C2y C 29.8303 -21.2758
22 C7x C 32.2317 -19.9069
23 C1y C 32.2241 -21.2889
24 C1z C 31.0278 -21.9684
25 C1y C 31.0184 -23.3438
26 C1y C 32.2047 -24.0398
27 C2y C 33.4007 -23.3606
28 C2x C 33.4104 -21.9849
29 C1a C 28.6377 -13.6620
30 O2a O 26.2331 -15.0503
31 C1a C 26.3039 -17.9682
32 C1x C 28.6259 -21.9660
33 O1a O 31.1495 -20.5759
34 O1a O 32.1950 -25.4281
35 C1a C 34.5980 -24.0631
36 O6a O 31.0305 -19.2109
37 C1a C 38.2251 -13.6759
38 C1c C 38.2237 -16.4401
39 C1a C 38.2232 -17.8284
40 C1a C 39.4263 -15.7468
41 O2x O 28.6046 -23.2822
42 C1y C 22.6391 -15.7444
43 C1y C 22.6391 -17.1327
44 C1y C 23.8401 -17.8321
45 C1x C 25.0413 -17.1327
46 C1y C 25.0413 -15.7444
47 O2x O 23.8401 -15.0558
48 C1a C 21.4378 -15.0484
49 O2a O 23.8401 -19.2204
50 O2a O 21.4355 -17.8245
51 C1a C 25.0424 -19.9145
52 C1y C 17.8294 -18.5100
53 C1y C 17.8294 -19.8980
54 C1y C 19.0306 -20.5976
55 C1x C 20.2316 -19.8980
56 C1y C 20.2316 -18.5100
57 O2x O 19.0306 -17.8213
58 C1a C 16.6284 -17.8140
59 O2a O 19.0306 -21.9859
60 O1a O 16.6261 -20.5898
61 C1a C 20.2329 -22.6798
BOND 67
1 13 1 1
2 10 30 1 #Down
3 1 14 1
4 11 31 1 #Down
5 14 12 1
6 21 32 1
7 12 7 1 #Up
8 24 33 1 #Down
9 7 8 1
10 26 34 1 #Up
11 1 2 1 #Down
12 27 35 1
13 15 16 1
14 22 36 2
15 22 17 1
16 4 37 1 #Down
17 15 17 1 #Up
18 3 38 1 #Up
19 2 3 1
20 38 39 1
21 3 4 1
22 38 40 1
23 18 19 2
24 32 41 1
25 25 41 1
26 19 20 1
27 4 5 1
28 8 9 2
29 9 10 1
30 20 21 2
31 21 24 1
32 42 43 1
33 43 44 1
34 44 45 1
35 45 46 1
36 46 47 1
37 47 42 1
38 23 22 1 #Down
39 42 48 1 #Down
40 10 11 1
41 44 49 1 #Down
42 11 18 1
43 43 50 1 #Up
44 5 6 2
45 49 51 1
46 46 30 1 #Up
47 1 6 1 #Up
48 56 50 1 #Up
49 12 16 1
50 23 24 1
51 24 25 1
52 25 26 1
53 26 27 1
54 52 53 1
55 53 54 1
56 54 55 1
57 55 56 1
58 56 57 1
59 57 52 1
60 27 28 2
61 52 58 1 #Down
62 28 23 1
63 54 59 1 #Down
64 15 13 1
65 53 60 1 #Up
66 9 29 1
67 59 61 1
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