| Entry |
|
|---|
| Name |
3-Methylfumaryl-CoA;
(E)-3-Carboxybut-2-enoyl-CoA;
Mesaconyl-C4-CoA
|
|---|
| Formula |
C26H40N7O19P3S
|
|---|
| Exact mass |
879.1313
|
|---|
| Mol weight |
879.6176
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00720 | Carbon fixation pathways in prokaryotes |
| map01120 | Microbial metabolism in diverse environments |
|
|---|
| Module |
| M00376 | 3-Hydroxypropionate bi-cycle |
|
|---|
| Enzyme |
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 56
1 C2b C 11.2700 -21.0700
2 C2c C 10.0800 -20.3700
3 C6a C 8.8900 -21.0700
4 O6a O 7.7700 -20.3700
5 O6a O 8.8900 -22.4000
6 C1a C 10.0800 -18.9700
7 C5a C 12.5300 -20.3700
8 S2a S 13.7200 -21.0700
9 C1b C 14.9100 -20.3700
10 C1b C 16.1700 -21.0700
11 N1b N 17.3600 -20.3700
12 C5a C 18.5500 -21.0700
13 C1b C 19.8100 -20.3700
14 C1b C 21.0000 -21.0700
15 N1b N 22.1900 -20.3700
16 C5a C 23.4500 -21.0700
17 C1c C 24.6400 -20.3700
18 C1d C 25.8300 -21.0700
19 C1b C 27.0200 -20.3700
20 O2b O 28.2800 -21.0700
21 O5a O 12.5300 -18.9700
22 O5a O 18.5500 -22.4700
23 O5a O 23.4500 -22.4700
24 O1a O 24.6400 -18.9700
25 C1a C 25.8300 -19.6700
26 C1a C 25.8300 -22.4700
27 P1b P 29.6800 -21.0700
28 O1c O 31.0800 -21.0700
29 O1c O 29.6800 -22.4700
30 C1y C 23.1700 -16.1000
31 C1y C 24.5700 -16.1000
32 C1y C 24.9900 -14.7700
33 O2x O 23.8700 -13.9300
34 C1y C 22.7500 -14.7700
35 C1b C 26.3200 -14.3500
36 O1a O 22.3300 -17.2200
37 O2b O 25.4100 -17.2200
38 P1b P 26.8100 -17.2200
39 O1c O 26.8100 -15.8200
40 O1c O 28.2100 -17.2200
41 O1c O 26.8100 -18.6200
42 C8y C 18.6200 -12.9500
43 C8y C 18.6200 -14.3500
44 N4y N 21.0700 -14.3500
45 C8x C 21.0700 -12.9500
46 N5x N 19.8100 -12.2500
47 C8y C 17.4300 -12.2500
48 N5x N 16.1700 -12.9500
49 C8x C 16.1700 -14.3500
50 N5x N 17.4300 -15.0500
51 N1a N 17.4300 -10.8500
52 O2b O 28.2800 -14.7700
53 P1b P 29.6800 -14.7700
54 O1c O 29.6800 -13.3700
55 O1c O 31.0800 -14.7700
56 O2c O 29.6800 -17.9900
BOND 58
1 1 2 2
2 2 3 1
3 3 4 1
4 3 5 2
5 2 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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