Entry |
|
Name |
|
Formula |
C37H58N7O18P3S
|
Exact mass |
1013.2772
|
Mol weight |
1013.88
|
Structure |

|
Reaction |
|
Pathway |
map00592 | alpha-Linolenic acid metabolism |
map01110 | Biosynthesis of secondary metabolites |
|
Module |
M00113 | Jasmonic acid biosynthesis |
|
Enzyme |
|
Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C16332 trans-2-Enoyl-OPC6-CoA
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 66
1 C2b C 22.8200 -24.5700
2 C1y C 16.7300 -23.1700
3 C1y C 16.8000 -21.7700
4 C1x C 15.4000 -23.5900
5 C1b C 18.0600 -24.6400
6 C5x C 15.4700 -21.3500
7 C1b C 17.8500 -20.3000
8 C1x C 14.6300 -22.4700
9 C1b C 19.1800 -23.8700
10 O5x O 15.0500 -20.0200
11 C2b C 19.0400 -20.8600
12 C1b C 20.3700 -24.5700
13 C2b C 20.4400 -20.8600
14 C2b C 21.6300 -23.8700
15 C1b C 21.7000 -20.1600
16 C1a C 22.8900 -20.8600
17 C5a C 24.0800 -23.8700
18 S2a S 25.2700 -24.5700
19 C1b C 26.4600 -23.8700
20 C1b C 27.7200 -24.5700
21 N1b N 28.9100 -23.8700
22 C5a C 30.1000 -24.5700
23 C1b C 31.3600 -23.8700
24 C1b C 32.5500 -24.5700
25 N1b N 33.7400 -23.8700
26 C5a C 35.0000 -24.5700
27 C1c C 36.1900 -23.8700
28 C1d C 37.3800 -24.5700
29 C1b C 38.5700 -23.8700
30 O2b O 39.8300 -24.5700
31 O5a O 24.0800 -22.4700
32 O5a O 30.1000 -25.9700
33 O5a O 35.0000 -25.9700
34 O1a O 36.1900 -22.4700
35 C1a C 37.3800 -23.1700
36 C1a C 37.3800 -25.9700
37 P1b P 41.2300 -24.5700
38 O1c O 42.6300 -24.5700
39 O1c O 41.2300 -25.9700
40 C1y C 34.7200 -19.6000
41 C1y C 36.1200 -19.6000
42 C1y C 36.5400 -18.2700
43 O2x O 35.4200 -17.4300
44 C1y C 34.3000 -18.2700
45 C1b C 37.8700 -17.8500
46 O1a O 33.8800 -20.7200
47 O2b O 36.9600 -20.7200
48 P1b P 38.3600 -20.7200
49 O1c O 38.3600 -19.3200
50 O1c O 39.7600 -20.7200
51 O1c O 38.3600 -22.1200
52 C8y C 30.1700 -16.4500
53 C8y C 30.1700 -17.8500
54 N4y N 32.6200 -17.8500
55 C8x C 32.6200 -16.4500
56 N5x N 31.3600 -15.7500
57 C8y C 28.9800 -15.7500
58 N5x N 27.7200 -16.4500
59 C8x C 27.7200 -17.8500
60 N5x N 28.9800 -18.5500
61 N1a N 28.9800 -14.3500
62 O2b O 39.8300 -18.2700
63 P1b P 41.2300 -18.2700
64 O1c O 41.2300 -16.8700
65 O1c O 42.6300 -18.2700
66 O2c O 41.2300 -21.4900
BOND 69
1 2 3 1
2 2 4 1
3 2 5 1 #Up
4 3 6 1
5 3 7 1 #Up
6 4 8 1
7 5 9 1
8 6 10 2
9 7 11 1
10 9 12 1
11 11 13 2
12 12 14 1
13 13 15 1
14 14 1 2
15 15 16 1
16 6 8 1
17 1 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 21 22 1
23 22 23 1
24 23 24 1
25 24 25 1
26 25 26 1
27 26 27 1
28 27 28 1
29 28 29 1
30 29 30 1
31 17 31 2
32 22 32 2
33 26 33 2
34 27 34 1 #Down
35 28 35 1
36 28 36 1
37 30 37 1
38 37 38 2
39 37 39 1
40 40 41 1
41 41 42 1
42 42 43 1
43 43 44 1
44 40 44 1
45 42 45 1 #Down
46 40 46 1 #Up
47 41 47 1 #Up
48 47 48 1
49 48 49 1
50 48 50 1
51 48 51 2
52 52 53 2
53 53 54 1
54 54 55 1
55 55 56 2
56 52 56 1
57 52 57 1
58 57 58 2
59 58 59 1
60 59 60 2
61 53 60 1
62 57 61 1
63 44 54 1 #Down
64 45 62 1
65 62 63 1
66 63 64 1
67 63 65 2
68 63 66 1
69 37 66 1
|