 | | COMPOUND: C07118 | |
| Entry |
|
|---|
| Name |
Benzoylacetyl-CoA;
Benzoylacetyl coenzyme A
|
|---|
| Formula |
C30H42N7O18P3S
|
|---|
| Exact mass |
913.152
|
|---|
| Mol weight |
913.6769
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01120 | Microbial metabolism in diverse environments |
| map01220 | Degradation of aromatic compounds |
|
|---|
| Enzyme |
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 59
1 C1b C 11.1300 -20.2300
2 C5a C 12.3900 -19.5300
3 S2a S 13.5800 -20.2300
4 C1b C 14.7700 -19.5300
5 C1b C 16.0300 -20.2300
6 N1b N 17.2200 -19.5300
7 C5a C 18.4100 -20.2300
8 C1b C 19.6700 -19.5300
9 C1b C 20.8600 -20.2300
10 N1b N 22.0500 -19.5300
11 C5a C 23.3100 -20.2300
12 C1c C 24.5000 -19.5300
13 C1d C 25.6900 -20.2300
14 C1b C 26.8800 -19.5300
15 O2b O 28.1400 -20.2300
16 O5a O 12.3900 -18.1300
17 O5a O 18.4100 -21.6300
18 O5a O 23.3100 -21.6300
19 O1a O 24.5000 -18.1300
20 C1a C 25.6900 -18.8300
21 C1a C 25.6900 -21.6300
22 P1b P 29.5400 -20.2300
23 O1c O 30.9400 -20.2300
24 O1c O 29.5400 -21.6300
25 C1y C 23.0300 -15.2600
26 C1y C 24.4300 -15.2600
27 C1y C 24.8500 -13.9300
28 O2x O 23.7300 -13.0900
29 C1y C 22.6100 -13.9300
30 C1b C 26.1800 -13.5100
31 O1a O 22.1900 -16.3800
32 O2b O 25.2700 -16.3800
33 P1b P 26.6700 -16.3800
34 O1c O 26.6700 -14.9800
35 O1c O 28.0700 -16.3800
36 O1c O 26.6700 -17.7800
37 C8y C 18.4800 -12.1100
38 C8y C 18.4800 -13.5100
39 N4y N 20.9300 -13.5100
40 C8x C 20.9300 -12.1100
41 N5x N 19.6700 -11.4100
42 C8y C 17.2900 -11.4100
43 N5x N 16.0300 -12.1100
44 C8x C 16.0300 -13.5100
45 N5x N 17.2900 -14.2100
46 N1a N 17.2900 -10.0100
47 O2b O 28.1400 -13.9300
48 P1b P 29.5400 -13.9300
49 O1c O 29.5400 -12.5300
50 O1c O 30.9400 -13.9300
51 O2c O 29.5400 -17.1500
52 C5a C 9.9400 -19.5300
53 C8y C 8.7500 -20.2300
54 O5a O 9.9400 -18.1300
55 C8x C 8.7500 -21.6300
56 C8x C 7.5600 -19.5300
57 C8x C 7.5600 -22.3300
58 C8x C 6.3000 -20.2300
59 C8x C 6.3000 -21.6300
BOND 62
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 52 53 1
55 52 54 2
56 53 55 2
57 53 56 1
58 55 57 1
59 56 58 2
60 57 59 2
61 58 59 1
62 52 1 1
|
|---|
|
» Japanese version
|
|