| Entry |
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| Name |
Phenylacetyl-CoA;
Phenylacetyl coenzyme A
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| Formula |
C29H42N7O17P3S
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| Exact mass |
885.1571
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| Mol weight |
885.6668
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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 57
1 C1b C 30.1924 -34.7900
2 C5a C 31.4049 -34.0900
3 S2a S 32.6173 -34.7900
4 C1b C 33.8297 -34.0900
5 C1b C 35.0422 -34.7900
6 N1b N 36.2546 -34.0900
7 C5a C 37.4670 -34.7900
8 C1b C 38.6795 -34.0900
9 C1b C 39.8919 -34.7900
10 N1b N 41.1044 -34.0900
11 C5a C 42.3168 -34.7900
12 C1c C 43.5292 -34.0900
13 C1d C 44.7417 -34.7900
14 C1b C 45.9541 -34.0900
15 O2b O 47.1665 -34.7900
16 O5a O 31.4049 -32.6902
17 O5a O 37.4670 -36.1899
18 O5a O 42.3168 -36.1896
19 O1a O 43.5292 -32.6900
20 C1a C 44.7417 -33.3900
21 C1a C 44.7417 -36.1900
22 P1b P 48.5665 -34.7900
23 O1c O 49.9665 -34.7900
24 O1c O 48.5665 -36.1900
25 C1y C 42.0700 -29.8200
26 C1y C 43.4700 -29.8200
27 C1y C 43.9026 -28.4885
28 O2x O 42.7700 -27.6656
29 C1y C 41.6374 -28.4885
30 C1b C 45.2222 -28.0597
31 O1a O 41.2471 -30.9526
32 O2b O 44.2929 -30.9526
33 P1b P 45.6929 -30.9526
34 O1c O 45.6929 -29.5526
35 O1c O 47.0929 -30.9526
36 O1c O 45.6929 -32.3526
37 C8y C 37.5200 -26.6700
38 C8y C 37.5200 -28.0700
39 N4y N 39.9449 -28.0700
40 C8x C 39.9449 -26.6700
41 N5x N 38.7324 -25.9700
42 C8y C 36.3076 -25.9700
43 N5x N 35.0951 -26.6700
44 C8x C 35.0951 -28.0700
45 N5x N 36.3076 -28.7700
46 N1a N 36.3076 -24.5702
47 O2b O 47.2045 -28.4920
48 P1b P 48.6045 -28.4920
49 O1c O 48.6045 -27.0920
50 O1c O 50.0045 -28.4920
51 O2c O 48.6045 -31.7120
52 C8y C 28.9633 -34.0802
53 C8x C 28.9636 -32.6901
54 C8x C 27.7513 -31.9898
55 C8x C 26.5387 -32.6896
56 C8x C 26.5384 -34.0796
57 C8x C 27.7507 -34.7799
BOND 60
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 2
56 53 54 1
57 54 55 2
58 55 56 1
59 56 57 2
60 52 57 1
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