Entry |
|
Name |
(2S)-Ethylmalonyl-CoA;
(S)-Ethylmalonyl-CoA;
Ethylmalonyl-CoA;
Ethylmalonyl coenzyme A
|
Formula |
C26H42N7O19P3S
|
Exact mass |
881.1469
|
Mol weight |
881.6335
|
Structure |
|
Reaction |
|
Pathway |
map00630 | Glyoxylate and dicarboxylate metabolism |
map01120 | Microbial metabolism in diverse environments |
|
Module |
|
Enzyme |
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 56
1 C1c C 9.8700 -20.3000
2 C6a C 8.7500 -19.6700
3 C1b C 9.8700 -21.5600
4 O6a O 7.6300 -20.3000
5 O6a O 8.7500 -18.3400
6 C1a C 11.1300 -22.2600
7 C5a C 11.1300 -19.6000
8 S2a S 12.3200 -20.3000
9 C1b C 13.5100 -19.6000
10 C1b C 14.7700 -20.3000
11 N1b N 15.9600 -19.6000
12 C5a C 17.1500 -20.3000
13 C1b C 18.4100 -19.6000
14 C1b C 19.6000 -20.3000
15 N1b N 20.7900 -19.6000
16 C5a C 22.0500 -20.3000
17 C1c C 23.2400 -19.6000
18 C1d C 24.4300 -20.3000
19 C1b C 25.6200 -19.6000
20 O2b O 26.8800 -20.3000
21 O5a O 11.1300 -18.2000
22 O5a O 17.1500 -21.7000
23 O5a O 22.0500 -21.7000
24 O1a O 23.2400 -18.2000
25 C1a C 24.4300 -18.9000
26 C1a C 24.4300 -21.7000
27 P1b P 28.2800 -20.3000
28 O1c O 29.6800 -20.3000
29 O1c O 28.2800 -21.7000
30 C1y C 21.7700 -15.3300
31 C1y C 23.1700 -15.3300
32 C1y C 23.5900 -14.0000
33 O2x O 22.4700 -13.1600
34 C1y C 21.3500 -14.0000
35 C1b C 24.9200 -13.5800
36 O1a O 20.9300 -16.4500
37 O2b O 24.0100 -16.4500
38 P1b P 25.4100 -16.4500
39 O1c O 25.4100 -15.0500
40 O1c O 26.8100 -16.4500
41 O1c O 25.4100 -17.8500
42 C8y C 17.2200 -12.1800
43 C8y C 17.2200 -13.5800
44 N4y N 19.6700 -13.5800
45 C8x C 19.6700 -12.1800
46 N5x N 18.4100 -11.4800
47 C8y C 16.0300 -11.4800
48 N5x N 14.7700 -12.1800
49 C8x C 14.7700 -13.5800
50 N5x N 16.0300 -14.2800
51 N1a N 16.0300 -10.0800
52 O2b O 26.8800 -14.0000
53 P1b P 28.2800 -14.0000
54 O1c O 28.2800 -12.6000
55 O1c O 29.6800 -14.0000
56 O2c O 28.2800 -17.2200
BOND 58
1 1 2 1
2 1 3 1 #Up
3 2 4 1
4 2 5 2
5 3 6 1
6 1 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 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 7 21 2
21 12 22 2
22 16 23 2
23 17 24 1 #Down
24 18 25 1
25 18 26 1
26 20 27 1
27 27 28 2
28 27 29 1
29 30 31 1
30 31 32 1
31 32 33 1
32 33 34 1
33 30 34 1
34 32 35 1 #Down
35 30 36 1 #Up
36 31 37 1 #Up
37 37 38 1
38 38 39 1
39 38 40 1
40 38 41 2
41 42 43 2
42 43 44 1
43 44 45 1
44 45 46 2
45 42 46 1
46 42 47 1
47 47 48 2
48 48 49 1
49 49 50 2
50 43 50 1
51 47 51 1
52 34 44 1 #Down
53 35 52 1
54 52 53 1
55 53 54 1
56 53 55 2
57 53 56 1
58 27 56 1
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