Entry |
|
Name |
3-Hydroxyisovaleryl-CoA;
3-Hydroxyisovaleryl coenzyme A;
3-Hydroxy-3-methylbutanoyl-CoA
|
Formula |
C26H44N7O18P3S
|
Exact mass |
867.1676
|
Mol weight |
867.65
|
Structure |
|
Reaction |
|
Pathway |
map00280 | Valine, leucine and isoleucine degradation |
|
Enzyme |
|
Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C05998 3-Hydroxy-3-methylbutanoyl-CoA
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 55
1 S2a S 12.3873 -20.5800
2 C1b C 13.5997 -19.8800
3 C1b C 14.8122 -20.5800
4 N1b N 16.0246 -19.8800
5 C5a C 17.2370 -20.5800
6 C1b C 18.4495 -19.8800
7 C1b C 19.6619 -20.5800
8 N1b N 20.8744 -19.8800
9 C5a C 22.0868 -20.5800
10 C1c C 23.2992 -19.8800
11 C1d C 24.5117 -20.5800
12 C1b C 25.7241 -19.8800
13 O2b O 26.9365 -20.5800
14 O5a O 17.2370 -21.9799
15 O5a O 22.0868 -21.9796
16 O1a O 23.2992 -18.4800
17 C1a C 24.5117 -19.1800
18 C1a C 24.5117 -21.9800
19 P1b P 28.3365 -20.5800
20 O1c O 29.7365 -20.5800
21 O1c O 28.3365 -21.9800
22 C1y C 21.8400 -15.6100
23 C1y C 23.2400 -15.6100
24 C1y C 23.6726 -14.2785
25 O2x O 22.5400 -13.4556
26 C1y C 21.4074 -14.2785
27 C1b C 24.9922 -13.8497
28 O1a O 21.0171 -16.7426
29 O2b O 24.0629 -16.7426
30 P1b P 25.4629 -16.7426
31 O1c O 25.4629 -15.3426
32 O1c O 26.8629 -16.7426
33 O1c O 25.4629 -18.1426
34 C8y C 17.2900 -12.4600
35 C8y C 17.2900 -13.8600
36 N4y N 19.7149 -13.8600
37 C8x C 19.7149 -12.4600
38 N5x N 18.5024 -11.7600
39 C8y C 16.0776 -11.7600
40 N5x N 14.8651 -12.4600
41 C8x C 14.8651 -13.8600
42 N5x N 16.0776 -14.5600
43 N1a N 16.0776 -10.3602
44 O2b O 26.9745 -14.2820
45 P1b P 28.3745 -14.2820
46 O1c O 28.3745 -12.8820
47 O1c O 29.7745 -14.2820
48 O2c O 28.3745 -17.5020
49 C5a C 11.1776 -19.8800
50 C1b C 9.9651 -20.5800
51 C1d C 8.7527 -19.8800
52 O1a O 7.5382 -20.5812
53 C1a C 9.4527 -18.6676
54 C1a C 8.0527 -18.6676
55 O5a O 11.1783 -18.4802
BOND 57
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 51 52 1
55 51 53 1
56 51 54 1
57 49 55 2
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