| Entry |
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|---|
| Name |
5-Carboxy-2-pentenoyl-CoA;
2,3-Didehydroadipyl-CoA
|
|---|
| Formula |
C27H42N7O19P3S
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| Exact mass |
893.1469
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| Mol weight |
893.65
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| Structure |
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| Reaction |
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|---|
| Pathway |
| map01120 | Microbial metabolism in diverse environments |
|
|---|
| Module |
| M00878 | Phenylacetate degradation, phenylaxetate => acetyl-CoA/succinyl-CoA |
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| Enzyme |
|
|---|
| Other DBs |
|
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| LinkDB |
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| KCF data |
ATOM 57
1 S2a S 15.6800 -20.5800
2 C1b C 16.8700 -19.8800
3 C1b C 18.1300 -20.5800
4 N1b N 19.3200 -19.8800
5 C5a C 20.5100 -20.5800
6 C1b C 21.7700 -19.8800
7 C1b C 22.9600 -20.5800
8 N1b N 24.1500 -19.8800
9 C5a C 25.4100 -20.5800
10 C1c C 26.6000 -19.8800
11 C1d C 27.7900 -20.5800
12 C1b C 28.9800 -19.8800
13 O2b O 30.2400 -20.5800
14 O5a O 20.5100 -21.9800
15 O5a O 25.4100 -21.9800
16 O1a O 26.6000 -18.4800
17 C1a C 27.7900 -19.1800
18 C1a C 27.7900 -21.9800
19 P1b P 31.6400 -20.5800
20 O1c O 33.0400 -20.5800
21 O1c O 31.6400 -21.9800
22 C1y C 25.1300 -15.6100
23 C1y C 26.5300 -15.6100
24 C1y C 26.9500 -14.2800
25 O2x O 25.8300 -13.4400
26 C1y C 24.7100 -14.2800
27 C1b C 28.2800 -13.8600
28 O1a O 24.2900 -16.7300
29 O2b O 27.3700 -16.7300
30 P1b P 28.7700 -16.7300
31 O1c O 28.7700 -15.3300
32 O1c O 30.1700 -16.7300
33 O1c O 28.7700 -18.1300
34 C8y C 20.5800 -12.4600
35 C8y C 20.5800 -13.8600
36 N4y N 23.0300 -13.8600
37 C8x C 23.0300 -12.4600
38 N5x N 21.7700 -11.7600
39 C8y C 19.3900 -11.7600
40 N5x N 18.1300 -12.4600
41 C8x C 18.1300 -13.8600
42 N5x N 19.3900 -14.5600
43 N1a N 19.3900 -10.3600
44 O2b O 30.2400 -14.2800
45 P1b P 31.6400 -14.2800
46 O1c O 31.6400 -12.8800
47 O1c O 33.0400 -14.2800
48 O2c O 31.6400 -17.5000
49 C5a C 14.4200 -19.8100
50 C2b C 13.3000 -20.5800
51 C2b C 12.0400 -19.8100
52 C1b C 10.7800 -20.5800
53 C1b C 9.5200 -19.8100
54 C6a C 8.4000 -20.5800
55 O6a O 7.2100 -19.8100
56 O5a O 14.4200 -18.4800
57 O6a O 8.4000 -21.9100
BOND 59
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 53 54 1
57 54 55 1
58 49 56 2
59 54 57 2
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