Entry |
|
Name |
Pentanoyl-CoA;
Valeryl-coenzyme A
|
Formula |
C26H44N7O17P3S
|
Exact mass |
851.1727
|
Mol weight |
851.65
|
Structure |

|
Reaction |
|
Pathway |
map00630 | Glyoxylate and dicarboxylate metabolism |
|
Enzyme |
|
Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C00888 Pentanoyl-CoA
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 54
1 C1b C 30.1924 -28.7700
2 C5a C 31.4049 -28.0700
3 S2a S 32.6173 -28.7700
4 C1b C 33.8297 -28.0700
5 C1b C 35.0422 -28.7700
6 N1b N 36.2546 -28.0700
7 C5a C 37.4670 -28.7700
8 C1b C 38.6795 -28.0700
9 C1b C 39.8919 -28.7700
10 N1b N 41.1044 -28.0700
11 C5a C 42.3168 -28.7700
12 C1c C 43.5292 -28.0700
13 C1d C 44.7417 -28.7700
14 C1b C 45.9541 -28.0700
15 O2b O 47.1665 -28.7700
16 O5a O 31.4049 -26.6702
17 O5a O 37.4670 -30.1699
18 O5a O 42.3168 -30.1696
19 O1a O 43.5292 -26.6700
20 C1a C 44.7417 -27.3700
21 C1a C 44.7417 -30.1700
22 P1b P 48.5665 -28.7700
23 O1c O 49.9665 -28.7700
24 O1c O 48.5665 -30.1700
25 C1y C 42.0700 -23.8000
26 C1y C 43.4700 -23.8000
27 C1y C 43.9026 -22.4685
28 O2x O 42.7700 -21.6456
29 C1y C 41.6374 -22.4685
30 C1b C 45.2222 -22.0397
31 O1a O 41.2471 -24.9326
32 O2b O 44.2929 -24.9326
33 P1b P 45.6929 -24.9326
34 O1c O 45.6929 -23.5326
35 O1c O 47.0929 -24.9326
36 O1c O 45.6929 -26.3326
37 C8y C 37.5200 -20.6500
38 C8y C 37.5200 -22.0500
39 N4y N 39.9449 -22.0500
40 C8x C 39.9449 -20.6500
41 N5x N 38.7324 -19.9500
42 C8y C 36.3076 -19.9500
43 N5x N 35.0951 -20.6500
44 C8x C 35.0951 -22.0500
45 N5x N 36.3076 -22.7500
46 N1a N 36.3076 -18.5502
47 O2b O 47.2045 -22.4720
48 P1b P 48.6045 -22.4720
49 O1c O 48.6045 -21.0720
50 O1c O 50.0045 -22.4720
51 O2c O 48.6045 -25.6920
52 C1b C 28.9633 -28.0602
53 C1b C 27.7592 -28.7553
54 C1a C 26.5763 -28.0722
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 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 53 54 1
|