| Entry |
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| Name |
2-Methylbutanoyl-CoA;
2-Methylbutyryl-CoA
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| Formula |
C26H44N7O17P3S
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| Exact mass |
851.1727
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| Mol weight |
851.6505
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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 |
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| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C01033 2-Methylbutanoyl-CoA
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| Other DBs |
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| KCF data |
ATOM 54
1 C1c C 29.5624 -26.6700
2 C5a C 30.7749 -25.9700
3 S2a S 31.9873 -26.6700
4 C1b C 33.1997 -25.9700
5 C1b C 34.4122 -26.6700
6 N1b N 35.6246 -25.9700
7 C5a C 36.8370 -26.6700
8 C1b C 38.0495 -25.9700
9 C1b C 39.2619 -26.6700
10 N1b N 40.4744 -25.9700
11 C5a C 41.6868 -26.6700
12 C1c C 42.8992 -25.9700
13 C1d C 44.1117 -26.6700
14 C1b C 45.3241 -25.9700
15 O2b O 46.5365 -26.6700
16 O5a O 30.7749 -24.5702
17 O5a O 36.8370 -28.0699
18 O5a O 41.6868 -28.0696
19 O1a O 42.8992 -24.5700
20 C1a C 44.1117 -25.2700
21 C1a C 44.1117 -28.0700
22 P1b P 47.9365 -26.6700
23 O1c O 49.3365 -26.6700
24 O1c O 47.9365 -28.0700
25 C1y C 41.4400 -21.7000
26 C1y C 42.8400 -21.7000
27 C1y C 43.2726 -20.3685
28 O2x O 42.1400 -19.5456
29 C1y C 41.0074 -20.3685
30 C1b C 44.5922 -19.9397
31 O1a O 40.6171 -22.8326
32 O2b O 43.6629 -22.8326
33 P1b P 45.0629 -22.8326
34 O1c O 45.0629 -21.4326
35 O1c O 46.4629 -22.8326
36 O1c O 45.0629 -24.2326
37 C8y C 36.8900 -18.5500
38 C8y C 36.8900 -19.9500
39 N4y N 39.3149 -19.9500
40 C8x C 39.3149 -18.5500
41 N5x N 38.1024 -17.8500
42 C8y C 35.6776 -17.8500
43 N5x N 34.4651 -18.5500
44 C8x C 34.4651 -19.9500
45 N5x N 35.6776 -20.6500
46 N1a N 35.6776 -16.4502
47 O2b O 46.5745 -20.3720
48 P1b P 47.9745 -20.3720
49 O1c O 47.9745 -18.9720
50 O1c O 49.3745 -20.3720
51 O2c O 47.9745 -23.5920
52 C1b C 28.3333 -25.9602
53 C1a C 27.1292 -26.6553
54 C1a C 29.5623 -28.0698
BOND 56
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 2 16 2
16 7 17 2
17 11 18 2
18 12 19 1 #Down
19 13 20 1
20 13 21 1
21 15 22 1
22 22 23 2
23 22 24 1
24 25 26 1
25 26 27 1
26 27 28 1
27 28 29 1
28 25 29 1
29 27 30 1 #Down
30 25 31 1 #Up
31 26 32 1 #Up
32 32 33 1
33 33 34 1
34 33 35 1
35 33 36 2
36 37 38 2
37 38 39 1
38 39 40 1
39 40 41 2
40 37 41 1
41 37 42 1
42 42 43 2
43 43 44 1
44 44 45 2
45 38 45 1
46 42 46 1
47 29 39 1 #Down
48 30 47 1
49 47 48 1
50 48 49 1
51 48 50 2
52 48 51 1
53 22 51 1
54 1 52 1
55 52 53 1
56 1 54 1
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