| Entry |
|
|---|
| Name |
3-Methylglutaconyl-CoA;
trans-3-Methylglutaconyl-CoA;
(E)-3-Methylglutaconyl-1-CoA
|
|---|
| Formula |
C27H42N7O19P3S
|
|---|
| Exact mass |
893.1469
|
|---|
| Mol weight |
893.65
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00280 | Valine, leucine and isoleucine degradation |
|
|---|
| Module |
| M00036 | Leucine degradation, leucine => acetoacetate + acetyl-CoA |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C03231 (E)-3-Methylglutaconyl-1-CoA
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 57
1 C2b C 9.6600 -21.1400
2 C5a C 10.9200 -20.4400
3 S2a S 12.1100 -21.1400
4 C1b C 13.3000 -20.4400
5 C1b C 14.5600 -21.1400
6 N1b N 15.7500 -20.4400
7 C5a C 16.9400 -21.1400
8 C1b C 18.2000 -20.4400
9 C1b C 19.3900 -21.1400
10 N1b N 20.5800 -20.4400
11 C5a C 21.8400 -21.1400
12 C1c C 23.0300 -20.4400
13 C1d C 24.2200 -21.1400
14 C1b C 25.4100 -20.4400
15 O2b O 26.6700 -21.1400
16 O5a O 10.9200 -19.0400
17 O5a O 16.9400 -22.5400
18 O5a O 21.8400 -22.5400
19 O1a O 23.0300 -19.0400
20 C1a C 24.2200 -19.7400
21 C1a C 24.2200 -22.5400
22 P1b P 28.0700 -21.1400
23 O1c O 29.4700 -21.1400
24 O1c O 28.0700 -22.5400
25 C1y C 21.5600 -16.1700
26 C1y C 22.9600 -16.1700
27 C1y C 23.3800 -14.8400
28 O2x O 22.2600 -14.0000
29 C1y C 21.1400 -14.8400
30 C1b C 24.7100 -14.4200
31 O1a O 20.7200 -17.2900
32 O2b O 23.8000 -17.2900
33 P1b P 25.2000 -17.2900
34 O1c O 25.2000 -15.8900
35 O1c O 26.6000 -17.2900
36 O1c O 25.2000 -18.6900
37 C8y C 17.0100 -13.0200
38 C8y C 17.0100 -14.4200
39 N4y N 19.4600 -14.4200
40 C8x C 19.4600 -13.0200
41 N5x N 18.2000 -12.3200
42 C8y C 15.8200 -12.3200
43 N5x N 14.5600 -13.0200
44 C8x C 14.5600 -14.4200
45 N5x N 15.8200 -15.1200
46 N1a N 15.8200 -10.9200
47 O2b O 26.6700 -14.8400
48 P1b P 28.0700 -14.8400
49 O1c O 28.0700 -13.4400
50 O1c O 29.4700 -14.8400
51 O2c O 28.0700 -18.0600
52 C2c C 8.4000 -20.4400
53 C1b C 7.2100 -21.1400
54 C1a C 8.4000 -19.0400
55 C6a C 6.0200 -20.4400
56 O6a O 4.8300 -21.1400
57 O6a O 6.0200 -19.0400
BOND 59
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 2
55 52 53 1
56 52 54 1
57 53 55 1
58 55 56 1
59 55 57 2
|
|---|
