| Entry |
|
|---|
| Name |
Glutaconyl-1-CoA;
4-Carboxybut-2-enoyl-CoA;
Glutaconyl-CoA;
(E)-Glutaconyl-CoA;
(2E)-4-Carboxybut-2-enoyl-CoA
|
|---|
| Formula |
C26H40N7O19P3S
|
|---|
| Exact mass |
879.1313
|
|---|
| Mol weight |
879.6176
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01120 | Microbial metabolism in diverse environments |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C02411 (2E)-4-Carboxybut-2-enoyl-CoA
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 56
1 C2b C 30.6824 -42.4200
2 C5a C 31.8949 -41.7200
3 S2a S 33.1073 -42.4200
4 C1b C 34.3197 -41.7200
5 C1b C 35.5322 -42.4200
6 N1b N 36.7446 -41.7200
7 C5a C 37.9570 -42.4200
8 C1b C 39.1695 -41.7200
9 C1b C 40.3819 -42.4200
10 N1b N 41.5944 -41.7200
11 C5a C 42.8068 -42.4200
12 C1c C 44.0192 -41.7200
13 C1d C 45.2317 -42.4200
14 C1b C 46.4441 -41.7200
15 O2b O 47.6565 -42.4200
16 O5a O 31.8949 -40.3202
17 O5a O 37.9570 -43.8199
18 O5a O 42.8068 -43.8196
19 O1a O 44.0192 -40.3200
20 C1a C 45.2317 -41.0200
21 C1a C 45.2317 -43.8200
22 P1b P 49.0565 -42.4200
23 O1c O 50.4565 -42.4200
24 O1c O 49.0565 -43.8200
25 C1y C 42.5600 -37.4500
26 C1y C 43.9600 -37.4500
27 C1y C 44.3926 -36.1185
28 O2x O 43.2600 -35.2956
29 C1y C 42.1274 -36.1185
30 C1b C 45.7122 -35.6897
31 O1a O 41.7371 -38.5826
32 O2b O 44.7829 -38.5826
33 P1b P 46.1829 -38.5826
34 O1c O 46.1829 -37.1826
35 O1c O 47.5829 -38.5826
36 O1c O 46.1829 -39.9826
37 C8y C 38.0100 -34.3000
38 C8y C 38.0100 -35.7000
39 N4y N 40.4349 -35.7000
40 C8x C 40.4349 -34.3000
41 N5x N 39.2224 -33.6000
42 C8y C 36.7976 -33.6000
43 N5x N 35.5851 -34.3000
44 C8x C 35.5851 -35.7000
45 N5x N 36.7976 -36.4000
46 N1a N 36.7976 -32.2002
47 O2b O 47.6945 -36.1220
48 P1b P 49.0945 -36.1220
49 O1c O 49.0945 -34.7220
50 O1c O 50.4945 -36.1220
51 O2c O 49.0945 -39.3420
52 C2b C 29.4476 -41.7200
53 C1b C 28.2351 -42.4200
54 C6a C 27.0227 -41.7200
55 O6a O 25.8103 -42.4200
56 O6a O 27.0227 -40.3200
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 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 53 54 1
57 54 55 1
58 54 56 2
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