Entry |
|
Name |
4-Hydroxybutyryl-CoA;
4-Hydroxybutanoyl-CoA
|
Formula |
C25H42N7O18P3S
|
Exact mass |
853.1520
|
Mol weight |
853.63
|
Structure |
|
Reaction |
|
Pathway |
map01120 | Microbial metabolism in diverse environments |
|
Module |
M00374 | Dicarboxylate-hydroxybutyrate cycle |
M00375 | Hydroxypropionate-hydroxybutylate cycle |
|
Enzyme |
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 54
1 S2a S 10.0800 -20.8600
2 C1b C 11.2700 -20.1600
3 C1b C 12.5300 -20.8600
4 N1b N 13.7200 -20.1600
5 C5a C 14.9100 -20.8600
6 C1b C 16.1700 -20.1600
7 C1b C 17.3600 -20.8600
8 N1b N 18.5500 -20.1600
9 C5a C 19.8100 -20.8600
10 C1c C 21.0000 -20.1600
11 C1d C 22.1900 -20.8600
12 C1b C 23.3800 -20.1600
13 O2b O 24.6400 -20.8600
14 O5a O 14.9100 -22.2600
15 O5a O 19.8100 -22.2600
16 O1a O 21.0000 -18.7600
17 C1a C 22.1900 -19.4600
18 C1a C 22.1900 -22.2600
19 P1b P 26.0400 -20.8600
20 O1c O 27.4400 -20.8600
21 O1c O 26.0400 -22.2600
22 C1y C 19.5300 -15.8900
23 C1y C 20.9300 -15.8900
24 C1y C 21.3500 -14.5600
25 O2x O 20.2300 -13.7200
26 C1y C 19.1100 -14.5600
27 C1b C 22.6800 -14.1400
28 O1a O 18.6900 -17.0100
29 O2b O 21.7700 -17.0100
30 P1b P 23.1700 -17.0100
31 O1c O 23.1700 -15.6100
32 O1c O 24.5700 -17.0100
33 O1c O 23.1700 -18.4100
34 C8y C 14.9800 -12.7400
35 C8y C 14.9800 -14.1400
36 N4y N 17.4300 -14.1400
37 C8x C 17.4300 -12.7400
38 N5x N 16.1700 -12.0400
39 C8y C 13.7900 -12.0400
40 N5x N 12.5300 -12.7400
41 C8x C 12.5300 -14.1400
42 N5x N 13.7900 -14.8400
43 N1a N 13.7900 -10.6400
44 O2b O 24.6400 -14.5600
45 P1b P 26.0400 -14.5600
46 O1c O 26.0400 -13.1600
47 O1c O 27.4400 -14.5600
48 O2c O 26.0400 -17.7800
49 C5a C 8.9600 -20.2300
50 C1b C 7.8400 -20.8600
51 O5a O 8.9600 -18.9000
52 C1b C 6.7200 -20.2300
53 C1b C 5.6000 -20.8600
54 O1a O 4.4800 -20.2300
BOND 56
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 49 51 2
54 50 52 1
55 52 53 1
56 53 54 1
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