| Entry |
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| Name |
3-Oxo-5,6-dehydrosuberyl-CoA semialdehyde
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| Formula |
C29H44N7O19P3S
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| Exact mass |
919.1626
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| Mol weight |
919.68
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| Structure |
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| Reaction |
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| Pathway |
| map01120 | Microbial metabolism in diverse environments |
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| Module |
| M00878 | Phenylacetate degradation, phenylaxetate => acetyl-CoA/succinyl-CoA |
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| Enzyme |
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 59
1 C1b C 19.7400 -23.8000
2 C5a C 21.0000 -23.1000
3 S2a S 22.1900 -23.8000
4 C1b C 23.3800 -23.1000
5 C1b C 24.6400 -23.8000
6 N1b N 25.8300 -23.1000
7 C5a C 27.0200 -23.8000
8 C1b C 28.2800 -23.1000
9 C1b C 29.4700 -23.8000
10 N1b N 30.6600 -23.1000
11 C5a C 31.9200 -23.8000
12 C1c C 33.1100 -23.1000
13 C1d C 34.3000 -23.8000
14 C1b C 35.4900 -23.1000
15 O2b O 36.7500 -23.8000
16 O5a O 21.0000 -21.7000
17 O5a O 27.0200 -25.2000
18 O5a O 31.9200 -25.2000
19 O1a O 33.1100 -21.7000
20 C1a C 34.3000 -22.4000
21 C1a C 34.3000 -25.2000
22 P1b P 38.1500 -23.8000
23 O1c O 39.5500 -23.8000
24 O1c O 38.1500 -25.2000
25 C1y C 31.6400 -18.8300
26 C1y C 33.0400 -18.8300
27 C1y C 33.4600 -17.5000
28 O2x O 32.3400 -16.6600
29 C1y C 31.2200 -17.5000
30 C1b C 34.7900 -17.0800
31 O1a O 30.8000 -19.9500
32 O2b O 33.8800 -19.9500
33 P1b P 35.2800 -19.9500
34 O1c O 35.2800 -18.5500
35 O1c O 36.6800 -19.9500
36 O1c O 35.2800 -21.3500
37 C8y C 27.0900 -15.6800
38 C8y C 27.0900 -17.0800
39 N4y N 29.5400 -17.0800
40 C8x C 29.5400 -15.6800
41 N5x N 28.2800 -14.9800
42 C8y C 25.9000 -14.9800
43 N5x N 24.6400 -15.6800
44 C8x C 24.6400 -17.0800
45 N5x N 25.9000 -17.7800
46 N1a N 25.9000 -13.5800
47 O2b O 36.7500 -17.5000
48 P1b P 38.1500 -17.5000
49 O1c O 38.1500 -16.1000
50 O1c O 39.5500 -17.5000
51 O2c O 38.1500 -20.7200
52 C5a C 18.5500 -23.1000
53 C1b C 17.3600 -23.8000
54 O5a O 18.5500 -21.7000
55 C2b C 16.1700 -23.1000
56 C2b C 14.9800 -23.8000
57 C1b C 14.9800 -25.2000
58 C4a C 13.7900 -25.9000
59 O4a O 12.6000 -25.2000
BOND 61
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 1
55 52 53 1
56 52 54 2
57 53 55 1
58 55 56 2
59 56 57 1
60 57 58 1
61 58 59 2
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