| Entry |
|
|---|
| Name |
3-Methylbutanoyl-CoA;
Isovaleryl-CoA
|
|---|
| Formula |
C26H44N7O17P3S
|
|---|
| Exact mass |
851.1727
|
|---|
| Mol weight |
851.6505
|
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| Structure |
|
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| Reaction |
|
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| Pathway |
| map00280 | Valine, leucine and isoleucine degradation |
| map01210 | 2-Oxocarboxylic acid metabolism |
|
|---|
| Module |
| M00036 | Leucine degradation, leucine => acetoacetate + acetyl-CoA |
|
|---|
| Network |
nt06024 Valine, leucine and isoleucine degradation nt06032 Lipoic acid metabolism |
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C02939 3-Methylbutanoyl-CoA
|
|---|
| Other DBs |
|
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| KCF data |
ATOM 54
1 C1b C 29.8424 -35.7700
2 C5a C 31.0549 -35.0700
3 S2a S 32.2673 -35.7700
4 C1b C 33.4797 -35.0700
5 C1b C 34.6922 -35.7700
6 N1b N 35.9046 -35.0700
7 C5a C 37.1170 -35.7700
8 C1b C 38.3295 -35.0700
9 C1b C 39.5419 -35.7700
10 N1b N 40.7544 -35.0700
11 C5a C 41.9668 -35.7700
12 C1c C 43.1792 -35.0700
13 C1d C 44.3917 -35.7700
14 C1b C 45.6041 -35.0700
15 O2b O 46.8165 -35.7700
16 O5a O 31.0549 -33.6702
17 O5a O 37.1170 -37.1699
18 O5a O 41.9668 -37.1696
19 O1a O 43.1792 -33.6700
20 C1a C 44.3917 -34.3700
21 C1a C 44.3917 -37.1700
22 P1b P 48.2165 -35.7700
23 O1c O 49.6165 -35.7700
24 O1c O 48.2165 -37.1700
25 C1y C 41.7200 -30.8000
26 C1y C 43.1200 -30.8000
27 C1y C 43.5526 -29.4685
28 O2x O 42.4200 -28.6456
29 C1y C 41.2874 -29.4685
30 C1b C 44.8722 -29.0397
31 O1a O 40.8971 -31.9326
32 O2b O 43.9429 -31.9326
33 P1b P 45.3429 -31.9326
34 O1c O 45.3429 -30.5326
35 O1c O 46.7429 -31.9326
36 O1c O 45.3429 -33.3326
37 C8y C 37.1700 -27.6500
38 C8y C 37.1700 -29.0500
39 N4y N 39.5949 -29.0500
40 C8x C 39.5949 -27.6500
41 N5x N 38.3824 -26.9500
42 C8y C 35.9576 -26.9500
43 N5x N 34.7451 -27.6500
44 C8x C 34.7451 -29.0500
45 N5x N 35.9576 -29.7500
46 N1a N 35.9576 -25.5502
47 O2b O 46.8545 -29.4720
48 P1b P 48.2545 -29.4720
49 O1c O 48.2545 -28.0720
50 O1c O 49.6545 -29.4720
51 O2c O 48.2545 -32.6920
52 C1c C 28.6133 -35.0602
53 C1a C 27.4092 -35.7553
54 C1a C 28.6135 -33.6701
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 52 54 1
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