| | COMPOUND: C05338 | |
Entry |
|
Name |
4-Hydroxyphenylacetyl-CoA
|
Formula |
C29H42N7O18P3S
|
Exact mass |
901.1520
|
Mol weight |
901.67
|
Structure |
|
Reaction |
|
Pathway |
|
Enzyme |
|
Other DBs |
|
KCF data |
ATOM 58
1 S2a S 9.9373 -20.5800
2 C1b C 11.1497 -19.8800
3 C1b C 12.3622 -20.5800
4 N1b N 13.5746 -19.8800
5 C5a C 14.7870 -20.5800
6 C1b C 15.9995 -19.8800
7 C1b C 17.2119 -20.5800
8 N1b N 18.4244 -19.8800
9 C5a C 19.6368 -20.5800
10 C1c C 20.8492 -19.8800
11 C1d C 22.0617 -20.5800
12 C1b C 23.2741 -19.8800
13 O2b O 24.4865 -20.5800
14 O5a O 14.7870 -21.9799
15 O5a O 19.6368 -21.9796
16 O1a O 20.8492 -18.4800
17 C1a C 22.0617 -19.1800
18 C1a C 22.0617 -21.9800
19 P1b P 25.8865 -20.5800
20 O1c O 27.2865 -20.5800
21 O1c O 25.8865 -21.9800
22 C1y C 19.3900 -15.6100
23 C1y C 20.7900 -15.6100
24 C1y C 21.2226 -14.2785
25 O2x O 20.0900 -13.4556
26 C1y C 18.9574 -14.2785
27 C1b C 22.5422 -13.8497
28 O1a O 18.5671 -16.7426
29 O2b O 21.6129 -16.7426
30 P1b P 23.0129 -16.7426
31 O1c O 23.0129 -15.3426
32 O1c O 24.4129 -16.7426
33 O1c O 23.0129 -18.1426
34 C8y C 14.8400 -12.4600
35 C8y C 14.8400 -13.8600
36 N4y N 17.2649 -13.8600
37 C8x C 17.2649 -12.4600
38 N5x N 16.0524 -11.7600
39 C8y C 13.6276 -11.7600
40 N5x N 12.4151 -12.4600
41 C8x C 12.4151 -13.8600
42 N5x N 13.6276 -14.5600
43 N1a N 13.6276 -10.3602
44 O2b O 24.5245 -14.2820
45 P1b P 25.9245 -14.2820
46 O1c O 25.9245 -12.8820
47 O1c O 27.3245 -14.2820
48 O2c O 25.9245 -17.5020
49 C5a C 8.7276 -19.8800
50 C1b C 7.5151 -20.5800
51 C8y C 6.3027 -19.8800
52 O5a O 8.7282 -18.4802
53 C8x C 6.3027 -18.4800
54 C8x C 5.0903 -17.7800
55 C8y C 3.8778 -18.4800
56 C8x C 3.8778 -19.8800
57 C8x C 5.0903 -20.5800
58 O1a O 2.6447 -17.7678
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 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 1
54 49 52 2
55 51 53 2
56 53 54 1
57 54 55 2
58 55 56 1
59 56 57 2
60 51 57 1
61 55 58 1
|
|
» Japanese version
|
|