Entry |
|
Name |
|
Formula |
C35H54N7O18P3S
|
Exact mass |
985.2459
|
Mol weight |
985.83
|
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
C16336 trans-2-Enoyl-OPC4-CoA
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 64
1 C1y C 17.7800 -23.1000
2 C1y C 17.8500 -21.7000
3 C1x C 16.4500 -23.5200
4 C1b C 19.0400 -24.6400
5 C5x C 16.5200 -21.2800
6 C1b C 18.9700 -20.3000
7 C1x C 15.6800 -22.4000
8 C2b C 20.0900 -23.9400
9 O5x O 16.1000 -19.9500
10 C2b C 19.8800 -21.0000
11 C2b C 21.3500 -24.6400
12 C2b C 21.1400 -21.0000
13 C1b C 22.2600 -20.3000
14 C1a C 23.3100 -21.0000
15 C5a C 22.6100 -23.9400
16 S2a S 23.8000 -24.6400
17 C1b C 24.9900 -23.9400
18 C1b C 26.2500 -24.6400
19 N1b N 27.4400 -23.9400
20 C5a C 28.6300 -24.6400
21 C1b C 29.8900 -23.9400
22 C1b C 31.0800 -24.6400
23 N1b N 32.2700 -23.9400
24 C5a C 33.5300 -24.6400
25 C1c C 34.7200 -23.9400
26 C1d C 35.9100 -24.6400
27 C1b C 37.1000 -23.9400
28 O2b O 38.3600 -24.6400
29 O5a O 22.6100 -22.5400
30 O5a O 28.6300 -26.0400
31 O5a O 33.5300 -26.0400
32 O1a O 34.7200 -22.5400
33 C1a C 35.9100 -23.2400
34 C1a C 35.9100 -26.0400
35 P1b P 39.7600 -24.6400
36 O1c O 41.1600 -24.6400
37 O1c O 39.7600 -26.0400
38 C1y C 33.2500 -19.6700
39 C1y C 34.6500 -19.6700
40 C1y C 35.0700 -18.3400
41 O2x O 33.9500 -17.5000
42 C1y C 32.8300 -18.3400
43 C1b C 36.4000 -17.9200
44 O1a O 32.4100 -20.7900
45 O2b O 35.4900 -20.7900
46 P1b P 36.8900 -20.7900
47 O1c O 36.8900 -19.3900
48 O1c O 38.2900 -20.7900
49 O1c O 36.8900 -22.1900
50 C8y C 28.7000 -16.5200
51 C8y C 28.7000 -17.9200
52 N4y N 31.1500 -17.9200
53 C8x C 31.1500 -16.5200
54 N5x N 29.8900 -15.8200
55 C8y C 27.5100 -15.8200
56 N5x N 26.2500 -16.5200
57 C8x C 26.2500 -17.9200
58 N5x N 27.5100 -18.6200
59 N1a N 27.5100 -14.4200
60 O2b O 38.3600 -18.3400
61 P1b P 39.7600 -18.3400
62 O1c O 39.7600 -16.9400
63 O1c O 41.1600 -18.3400
64 O2c O 39.7600 -21.5600
BOND 67
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 4 8 1
8 5 9 2
9 6 10 1
10 8 11 2
11 10 12 2
12 12 13 1
13 13 14 1
14 5 7 1
15 11 15 1
16 15 16 1
17 16 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 15 29 2
30 20 30 2
31 24 31 2
32 25 32 1 #Down
33 26 33 1
34 26 34 1
35 28 35 1
36 35 36 2
37 35 37 1
38 38 39 1
39 39 40 1
40 40 41 1
41 41 42 1
42 38 42 1
43 40 43 1 #Down
44 38 44 1 #Up
45 39 45 1 #Up
46 45 46 1
47 46 47 1
48 46 48 1
49 46 49 2
50 50 51 2
51 51 52 1
52 52 53 1
53 53 54 2
54 50 54 1
55 50 55 1
56 55 56 2
57 56 57 1
58 57 58 2
59 51 58 1
60 55 59 1
61 42 52 1 #Down
62 43 60 1
63 60 61 1
64 61 62 1
65 61 63 2
66 61 64 1
67 35 64 1
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