Entry |
|
Name |
4,8,12-Trimethyltridecanoyl-CoA
|
Formula |
C37H66N7O17P3S
|
Exact mass |
1005.3449
|
Mol weight |
1005.9429
|
Structure |
|
Reaction |
|
Enzyme |
|
Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C07296 4,8,12-Trimethyltridecanoyl-CoA
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 65
1 C1b C 38.2900 -23.1700
2 C5a C 39.5500 -22.4700
3 S2a S 40.7400 -23.1700
4 C1b C 41.9300 -22.4700
5 C1b C 43.1900 -23.1700
6 N1b N 44.3800 -22.4700
7 C5a C 45.5700 -23.1700
8 C1b C 46.8300 -22.4700
9 C1b C 48.0200 -23.1700
10 N1b N 49.2100 -22.4700
11 C5a C 50.4700 -23.1700
12 C1c C 51.6600 -22.4700
13 C1d C 52.8500 -23.1700
14 C1b C 54.0400 -22.4700
15 O2b O 55.3000 -23.1700
16 O5a O 39.5500 -21.0700
17 O5a O 45.5700 -24.5700
18 O5a O 50.4700 -24.5700
19 O1a O 51.6600 -21.0700
20 C1a C 52.8500 -21.7700
21 C1a C 52.8500 -24.5700
22 P1b P 56.7000 -23.1700
23 O1c O 58.1000 -23.1700
24 O1c O 56.7000 -24.5700
25 C1y C 50.1900 -18.2000
26 C1y C 51.5900 -18.2000
27 C1y C 52.0100 -16.8700
28 O2x O 50.8900 -16.0300
29 C1y C 49.7700 -16.8700
30 C1b C 53.3400 -16.4500
31 O1a O 49.3500 -19.3200
32 O2b O 52.4300 -19.3200
33 P1b P 53.8300 -19.3200
34 O1c O 53.8300 -17.9200
35 O1c O 55.2300 -19.3200
36 O1c O 53.8300 -20.7200
37 C8y C 45.6400 -15.0500
38 C8y C 45.6400 -16.4500
39 N4y N 48.0900 -16.4500
40 C8x C 48.0900 -15.0500
41 N5x N 46.8300 -14.3500
42 C8y C 44.4500 -14.3500
43 N5x N 43.1900 -15.0500
44 C8x C 43.1900 -16.4500
45 N5x N 44.4500 -17.1500
46 N1a N 44.4500 -12.9500
47 O2b O 55.3000 -16.8700
48 P1b P 56.7000 -16.8700
49 O1c O 56.7000 -15.4700
50 O1c O 58.1000 -16.8700
51 O2c O 56.7000 -20.0900
52 C1b C 37.1000 -22.4700
53 C1c C 35.9100 -23.1700
54 C1b C 34.7200 -22.4700
55 C1a C 35.9100 -24.5700
56 C1b C 33.5300 -23.1700
57 C1b C 32.3400 -22.4700
58 C1c C 31.1500 -23.1700
59 C1b C 29.9600 -22.4700
60 C1a C 31.1500 -24.5000
61 C1b C 28.7700 -23.1700
62 C1b C 27.5800 -22.4700
63 C1c C 26.3900 -23.1700
64 C1a C 25.2000 -22.4700
65 C1a C 26.3900 -24.5000
BOND 67
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
57 53 55 1
58 54 56 1
59 56 57 1
60 57 58 1
61 58 59 1
62 58 60 1
63 59 61 1
64 61 62 1
65 62 63 1
66 63 64 1
67 63 65 1
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