Entry |
|
Name |
2-Methylprop-2-enoyl-CoA;
Methacrylyl-CoA;
Methylacrylyl-CoA
|
Formula |
C25H40N7O17P3S
|
Exact mass |
835.1414
|
Mol weight |
835.61
|
Structure |
|
Reaction |
|
Pathway |
map00280 | Valine, leucine and isoleucine degradation |
|
Enzyme |
|
Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C03460 2-Methylprop-2-enoyl-CoA
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 53
1 C2c C 13.8824 -22.1900
2 C5a C 15.0949 -21.4900
3 S2a S 16.3073 -22.1900
4 C1b C 17.5197 -21.4900
5 C1b C 18.7322 -22.1900
6 N1b N 19.9446 -21.4900
7 C5a C 21.1570 -22.1900
8 C1b C 22.3695 -21.4900
9 C1b C 23.5819 -22.1900
10 N1b N 24.7944 -21.4900
11 C5a C 26.0068 -22.1900
12 C1c C 27.2192 -21.4900
13 C1d C 28.4317 -22.1900
14 C1b C 29.6441 -21.4900
15 O2b O 30.8565 -22.1900
16 O5a O 15.0949 -20.0902
17 O5a O 21.1570 -23.5899
18 O5a O 26.0068 -23.5896
19 O1a O 27.2192 -20.0900
20 C1a C 28.4317 -20.7900
21 C1a C 28.4317 -23.5900
22 P1b P 32.2565 -22.1900
23 O1c O 33.6565 -22.1900
24 O1c O 32.2565 -23.5900
25 C1y C 25.7600 -17.2200
26 C1y C 27.1600 -17.2200
27 C1y C 27.5926 -15.8885
28 O2x O 26.4600 -15.0656
29 C1y C 25.3274 -15.8885
30 C1b C 28.9122 -15.4597
31 O1a O 24.9371 -18.3526
32 O2b O 27.9829 -18.3526
33 P1b P 29.3829 -18.3526
34 O1c O 29.3829 -16.9526
35 O1c O 30.7829 -18.3526
36 O1c O 29.3829 -19.7526
37 C8y C 21.2100 -14.0700
38 C8y C 21.2100 -15.4700
39 N4y N 23.6349 -15.4700
40 C8x C 23.6349 -14.0700
41 N5x N 22.4224 -13.3700
42 C8y C 19.9976 -13.3700
43 N5x N 18.7851 -14.0700
44 C8x C 18.7851 -15.4700
45 N5x N 19.9976 -16.1700
46 N1a N 19.9976 -11.9702
47 O2b O 30.8945 -15.8920
48 P1b P 32.2945 -15.8920
49 O1c O 32.2945 -14.4920
50 O1c O 33.6945 -15.8920
51 O2c O 32.2945 -19.1120
52 C1a C 12.6533 -21.4802
53 C2a C 13.8823 -23.5898
BOND 55
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 1 53 2
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