| Entry |
|
|---|
| Name |
Acetoacetyl-CoA;
Acetoacetyl coenzyme A;
3-Acetoacetyl-CoA
|
|---|
| Formula |
C25H40N7O18P3S
|
|---|
| Exact mass |
851.1363
|
|---|
| Mol weight |
851.61
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00280 | Valine, leucine and isoleucine degradation |
| map00630 | Glyoxylate and dicarboxylate metabolism |
| map00900 | Terpenoid backbone biosynthesis |
| map01110 | Biosynthesis of secondary metabolites |
| map01120 | Microbial metabolism in diverse environments |
|
|---|
| Module |
| M00032 | Lysine degradation, lysine => saccharopine => acetoacetyl-CoA |
| M00088 | Ketone body biosynthesis, acetyl-CoA => acetoacetate/3-hydroxybutyrate/acetone |
| M00095 | C5 isoprenoid biosynthesis, mevalonate pathway |
| M00374 | Dicarboxylate-hydroxybutyrate cycle |
| M00375 | Hydroxypropionate-hydroxybutylate cycle |
| M00849 | C5 isoprenoid biosynthesis, mevalonate pathway, archaea |
| M00957 | Lysine degradation, bacteria, L-lysine => glutarate => succinate/acetyl-CoA |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C00332 Acetoacetyl-CoA
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 54
1 C1b C 29.7500 -37.3800
2 C5a C 31.0100 -36.6800
3 S2a S 32.2000 -37.3800
4 C1b C 33.3900 -36.6800
5 C1b C 34.6500 -37.3800
6 N1b N 35.8400 -36.6800
7 C5a C 37.0300 -37.3800
8 C1b C 38.2900 -36.6800
9 C1b C 39.4800 -37.3800
10 N1b N 40.6700 -36.6800
11 C5a C 41.9300 -37.3800
12 C1c C 43.1200 -36.6800
13 C1d C 44.3100 -37.3800
14 C1b C 45.5000 -36.6800
15 O2b O 46.7600 -37.3800
16 O5a O 31.0100 -35.2800
17 O5a O 37.0300 -38.7800
18 O5a O 41.9300 -38.7800
19 O1a O 43.1200 -35.2800
20 C1a C 44.3100 -35.9800
21 C1a C 44.3100 -38.7800
22 P1b P 48.1600 -37.3800
23 O1c O 49.5600 -37.3800
24 O1c O 48.1600 -38.7800
25 C1y C 41.6500 -32.4100
26 C1y C 43.0500 -32.4100
27 C1y C 43.4700 -31.0800
28 O2x O 42.3500 -30.2400
29 C1y C 41.2300 -31.0800
30 C1b C 44.8000 -30.6600
31 O1a O 40.8100 -33.5300
32 O2b O 43.8900 -33.5300
33 P1b P 45.2900 -33.5300
34 O1c O 45.2900 -32.1300
35 O1c O 46.6900 -33.5300
36 O1c O 45.2900 -34.9300
37 C8y C 37.1000 -29.2600
38 C8y C 37.1000 -30.6600
39 N4y N 39.5500 -30.6600
40 C8x C 39.5500 -29.2600
41 N5x N 38.2900 -28.5600
42 C8y C 35.9100 -28.5600
43 N5x N 34.6500 -29.2600
44 C8x C 34.6500 -30.6600
45 N5x N 35.9100 -31.3600
46 N1a N 35.9100 -27.1600
47 O2b O 46.7600 -31.0800
48 P1b P 48.1600 -31.0800
49 O1c O 48.1600 -29.6800
50 O1c O 49.5600 -31.0800
51 O2c O 48.1600 -34.3000
52 C5a C 28.5493 -36.6601
53 C1a C 27.3254 -37.3400
54 O5a O 28.5722 -35.2801
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 52 54 2
|
|---|
