| Entry |
|
|---|
| Name |
trans,cis-Lauro-2,6-dienoyl-CoA;
(2E,6Z)-Dodecadienoyl-CoA
|
|---|
| Formula |
C33H54N7O17P3S
|
|---|
| Exact mass |
945.2510
|
|---|
| Mol weight |
945.81
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C05279 (2E,6Z)-Dodecadienoyl-CoA
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 61
1 S2a S 17.5000 -20.5800
2 C1b C 18.6900 -19.8800
3 C1b C 19.9500 -20.5800
4 N1b N 21.1400 -19.8800
5 C5a C 22.3300 -20.5800
6 C1b C 23.5900 -19.8800
7 C1b C 24.7800 -20.5800
8 N1b N 25.9700 -19.8800
9 C5a C 27.2300 -20.5800
10 C1c C 28.4200 -19.8800
11 C1d C 29.6100 -20.5800
12 C1b C 30.8000 -19.8800
13 O2b O 32.0600 -20.5800
14 O5a O 22.3300 -21.9800
15 O5a O 27.2300 -21.9800
16 O1a O 28.4200 -18.4800
17 C1a C 29.6100 -19.1800
18 C1a C 29.6100 -21.9800
19 P1b P 33.4600 -20.5800
20 O1c O 34.8600 -20.5800
21 O1c O 33.4600 -21.9800
22 C1y C 26.9500 -15.6100
23 C1y C 28.3500 -15.6100
24 C1y C 28.7700 -14.2800
25 O2x O 27.6500 -13.4400
26 C1y C 26.5300 -14.2800
27 C1b C 30.1000 -13.8600
28 O1a O 26.1100 -16.7300
29 O2b O 29.1900 -16.7300
30 P1b P 30.5900 -16.7300
31 O1c O 30.5900 -15.3300
32 O1c O 31.9900 -16.7300
33 O1c O 30.5900 -18.1300
34 C8y C 22.4000 -12.4600
35 C8y C 22.4000 -13.8600
36 N4y N 24.8500 -13.8600
37 C8x C 24.8500 -12.4600
38 N5x N 23.5900 -11.7600
39 C8y C 21.2100 -11.7600
40 N5x N 19.9500 -12.4600
41 C8x C 19.9500 -13.8600
42 N5x N 21.2100 -14.5600
43 N1a N 21.2100 -10.3600
44 O2b O 32.0600 -14.2800
45 P1b P 33.4600 -14.2800
46 O1c O 33.4600 -12.8800
47 O1c O 34.8600 -14.2800
48 O2c O 33.4600 -17.5000
49 C5a C 16.3100 -19.8800
50 C2b C 15.0500 -20.5800
51 C2b C 13.8600 -19.8800
52 C1b C 12.6700 -20.5800
53 O5a O 16.3100 -18.4800
54 C1b C 11.4800 -19.8800
55 C2b C 10.2200 -20.5800
56 C2b C 8.8200 -20.5800
57 C1b C 7.5600 -19.8800
58 C1b C 6.3700 -20.5800
59 C1b C 5.1800 -19.8800
60 C1b C 3.9200 -20.5800
61 C1a C 2.7300 -19.8800
BOND 63
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 2
54 51 52 1
55 49 53 2
56 52 54 1
57 54 55 1
58 55 56 2
59 56 57 1
60 57 58 1
61 58 59 1
62 59 60 1
63 60 61 1
|
|---|
