| Entry |
|
|---|
| Name |
2-Methylfumaryl-CoA;
Mesaconyl-CoA;
Mesaconyl-C1-CoA;
(E)-3-Carboxy-2-methylprop-2-enoyl-CoA
|
|---|
| Formula |
C26H40N7O19P3S
|
|---|
| Exact mass |
879.1313
|
|---|
| Mol weight |
879.62
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00630 | Glyoxylate and dicarboxylate metabolism |
| map00660 | C5-Branched dibasic acid metabolism |
| map01120 | Microbial metabolism in diverse environments |
|
|---|
| Module |
| M00376 | 3-Hydroxypropionate bi-cycle |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C06028 2-Methylfumaryl-CoA
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 56
1 S2a S 13.0173 -20.5800
2 C1b C 14.2297 -19.8800
3 C1b C 15.4422 -20.5800
4 N1b N 16.6546 -19.8800
5 C5a C 17.8670 -20.5800
6 C1b C 19.0795 -19.8800
7 C1b C 20.2919 -20.5800
8 N1b N 21.5044 -19.8800
9 C5a C 22.7168 -20.5800
10 C1c C 23.9292 -19.8800
11 C1d C 25.1417 -20.5800
12 C1b C 26.3541 -19.8800
13 O2b O 27.5665 -20.5800
14 O5a O 17.8670 -21.9799
15 O5a O 22.7168 -21.9796
16 O1a O 23.9292 -18.4800
17 C1a C 25.1417 -19.1800
18 C1a C 25.1417 -21.9800
19 P1b P 28.9665 -20.5800
20 O1c O 30.3665 -20.5800
21 O1c O 28.9665 -21.9800
22 C1y C 22.4700 -15.6100
23 C1y C 23.8700 -15.6100
24 C1y C 24.3026 -14.2785
25 O2x O 23.1700 -13.4556
26 C1y C 22.0374 -14.2785
27 C1b C 25.6222 -13.8497
28 O1a O 21.6471 -16.7426
29 O2b O 24.6929 -16.7426
30 P1b P 26.0929 -16.7426
31 O1c O 26.0929 -15.3426
32 O1c O 27.4929 -16.7426
33 O1c O 26.0929 -18.1426
34 C8y C 17.9200 -12.4600
35 C8y C 17.9200 -13.8600
36 N4y N 20.3449 -13.8600
37 C8x C 20.3449 -12.4600
38 N5x N 19.1324 -11.7600
39 C8y C 16.7076 -11.7600
40 N5x N 15.4951 -12.4600
41 C8x C 15.4951 -13.8600
42 N5x N 16.7076 -14.5600
43 N1a N 16.7076 -10.3602
44 O2b O 27.6045 -14.2820
45 P1b P 29.0045 -14.2820
46 O1c O 29.0045 -12.8820
47 O1c O 30.4045 -14.2820
48 O2c O 29.0045 -17.5020
49 C5a C 11.8076 -19.8800
50 C2c C 10.5951 -20.5800
51 C2b C 9.3827 -19.8800
52 C6a C 8.1703 -20.5800
53 O6a O 6.9578 -19.8800
54 O5a O 11.8082 -18.4802
55 C1a C 10.5951 -21.9798
56 O6a O 8.1703 -21.9799
BOND 58
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 5 14 2
14 9 15 2
15 10 16 1 #Down
16 11 17 1
17 11 18 1
18 13 19 1
19 19 20 2
20 19 21 1
21 22 23 1
22 23 24 1
23 24 25 1
24 25 26 1
25 22 26 1
26 24 27 1 #Down
27 22 28 1 #Up
28 23 29 1 #Up
29 29 30 1
30 30 31 1
31 30 32 1
32 30 33 2
33 34 35 2
34 35 36 1
35 36 37 1
36 37 38 2
37 34 38 1
38 34 39 1
39 39 40 2
40 40 41 1
41 41 42 2
42 35 42 1
43 39 43 1
44 26 36 1 #Down
45 27 44 1
46 44 45 1
47 45 46 1
48 45 47 2
49 45 48 1
50 19 48 1
51 1 49 1
52 49 50 1
53 50 51 2
54 51 52 1
55 52 53 1
56 49 54 2
57 50 55 1
58 52 56 2
|
|---|
