| Entry |
|
|---|
| Name |
7-Methyl-3-oxo-6-octenoyl-CoA;
7-Methyl-3-oxooct-6-enoyl-CoA
|
|---|
| Formula |
C30H48N7O18P3S
|
|---|
| Exact mass |
919.1989
|
|---|
| Mol weight |
919.7245
|
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| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00907 | Pinene, camphor and geraniol degradation |
| map01120 | Microbial metabolism in diverse environments |
|
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| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C16466 7-Methyl-3-oxo-6-octenoyl-CoA
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 59
1 C1b C 13.0900 -21.0700
2 C5a C 11.9000 -20.3700
3 C1b C 10.6400 -21.0700
4 C1b C 9.4500 -20.3700
5 C2b C 8.2600 -21.0700
6 C2c C 7.0000 -20.3700
7 C1a C 5.8100 -21.0700
8 O5a O 11.9000 -18.9700
9 C1a C 7.0000 -18.9700
10 C5a C 14.3500 -20.3700
11 S2a S 15.5400 -21.0700
12 C1b C 16.7300 -20.3700
13 C1b C 17.9900 -21.0700
14 N1b N 19.1800 -20.3700
15 C5a C 20.3700 -21.0700
16 C1b C 21.6300 -20.3700
17 C1b C 22.8200 -21.0700
18 N1b N 24.0100 -20.3700
19 C5a C 25.2700 -21.0700
20 C1c C 26.4600 -20.3700
21 C1d C 27.6500 -21.0700
22 C1b C 28.8400 -20.3700
23 O2b O 30.1000 -21.0700
24 O5a O 14.3500 -18.9700
25 O5a O 20.3700 -22.4700
26 O5a O 25.2700 -22.4700
27 O1a O 26.4600 -18.9700
28 C1a C 27.6500 -19.6700
29 C1a C 27.6500 -22.4700
30 P1b P 31.5000 -21.0700
31 O1c O 32.9000 -21.0700
32 O1c O 31.5000 -22.4700
33 C1y C 24.9900 -16.1000
34 C1y C 26.3900 -16.1000
35 C1y C 26.8100 -14.7700
36 O2x O 25.6900 -13.9300
37 C1y C 24.5700 -14.7700
38 C1b C 28.1400 -14.3500
39 O1a O 24.1500 -17.2200
40 O2b O 27.2300 -17.2200
41 P1b P 28.6300 -17.2200
42 O1c O 28.6300 -15.8200
43 O1c O 30.0300 -17.2200
44 O1c O 28.6300 -18.6200
45 C8y C 20.4400 -12.9500
46 C8y C 20.4400 -14.3500
47 N4y N 22.8900 -14.3500
48 C8x C 22.8900 -12.9500
49 N5x N 21.6300 -12.2500
50 C8y C 19.2500 -12.2500
51 N5x N 17.9900 -12.9500
52 C8x C 17.9900 -14.3500
53 N5x N 19.2500 -15.0500
54 N1a N 19.2500 -10.8500
55 O2b O 30.1000 -14.7700
56 P1b P 31.5000 -14.7700
57 O1c O 31.5000 -13.3700
58 O1c O 32.9000 -14.7700
59 O2c O 31.5000 -17.9900
BOND 61
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 2
6 6 7 1
7 2 8 2
8 6 9 1
9 1 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 10 24 2
24 15 25 2
25 19 26 2
26 20 27 1 #Down
27 21 28 1
28 21 29 1
29 23 30 1
30 30 31 2
31 30 32 1
32 33 34 1
33 34 35 1
34 35 36 1
35 36 37 1
36 33 37 1
37 35 38 1 #Down
38 33 39 1 #Up
39 34 40 1 #Up
40 40 41 1
41 41 42 1
42 41 43 1
43 41 44 2
44 45 46 2
45 46 47 1
46 47 48 1
47 48 49 2
48 45 49 1
49 45 50 1
50 50 51 2
51 51 52 1
52 52 53 2
53 46 53 1
54 50 54 1
55 37 47 1 #Down
56 38 55 1
57 55 56 1
58 56 57 1
59 56 58 2
60 56 59 1
61 30 59 1
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