| Entry |
|
|---|
| Name |
3-Methylcrotonyl-CoA;
3-Methylbut-2-enoyl-CoA;
3-Methylcrotonoyl-CoA;
Dimethylacryloyl-CoA
|
|---|
| Formula |
C26H42N7O17P3S
|
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| Exact mass |
849.1571
|
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| Mol weight |
849.64
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| Structure |
|
|---|
| Reaction |
|
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| Pathway |
| map00280 | Valine, leucine and isoleucine degradation |
| map00907 | Pinene, camphor and geraniol degradation |
| map01120 | Microbial metabolism in diverse environments |
|
|---|
| Module |
| M00036 | Leucine degradation, leucine => acetoacetate + acetyl-CoA |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C03069 3-Methylbut-2-enoyl-CoA
|
|---|
| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 54
1 C2b C 30.1924 -34.0200
2 C5a C 31.4049 -33.3200
3 S2a S 32.6173 -34.0200
4 C1b C 33.8297 -33.3200
5 C1b C 35.0422 -34.0200
6 N1b N 36.2546 -33.3200
7 C5a C 37.4670 -34.0200
8 C1b C 38.6795 -33.3200
9 C1b C 39.8919 -34.0200
10 N1b N 41.1044 -33.3200
11 C5a C 42.3168 -34.0200
12 C1c C 43.5292 -33.3200
13 C1d C 44.7417 -34.0200
14 C1b C 45.9541 -33.3200
15 O2b O 47.1665 -34.0200
16 O5a O 31.4049 -31.9202
17 O5a O 37.4670 -35.4199
18 O5a O 42.3168 -35.4196
19 O1a O 43.5292 -31.9200
20 C1a C 44.7417 -32.6200
21 C1a C 44.7417 -35.4200
22 P1b P 48.5665 -34.0200
23 O1c O 49.9665 -34.0200
24 O1c O 48.5665 -35.4200
25 C1y C 42.0700 -29.0500
26 C1y C 43.4700 -29.0500
27 C1y C 43.9026 -27.7185
28 O2x O 42.7700 -26.8956
29 C1y C 41.6374 -27.7185
30 C1b C 45.2222 -27.2897
31 O1a O 41.2471 -30.1826
32 O2b O 44.2929 -30.1826
33 P1b P 45.6929 -30.1826
34 O1c O 45.6929 -28.7826
35 O1c O 47.0929 -30.1826
36 O1c O 45.6929 -31.5826
37 C8y C 37.5200 -25.9000
38 C8y C 37.5200 -27.3000
39 N4y N 39.9449 -27.3000
40 C8x C 39.9449 -25.9000
41 N5x N 38.7324 -25.2000
42 C8y C 36.3076 -25.2000
43 N5x N 35.0951 -25.9000
44 C8x C 35.0951 -27.3000
45 N5x N 36.3076 -28.0000
46 N1a N 36.3076 -23.8002
47 O2b O 47.2045 -27.7220
48 P1b P 48.6045 -27.7220
49 O1c O 48.6045 -26.3220
50 O1c O 50.0045 -27.7220
51 O2c O 48.6045 -30.9420
52 C2c C 28.9633 -33.3102
53 C1a C 27.7592 -34.0053
54 C1a C 28.9635 -31.9201
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 2
55 52 53 1
56 52 54 1
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