| Entry |
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| Name |
|
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| Formula |
C39H62N7O18P3S
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| Exact mass |
1041.3085
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| Mol weight |
1041.932
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| Structure |
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| Reaction |
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| Pathway |
| map00592 | alpha-Linolenic acid metabolism |
| map01110 | Biosynthesis of secondary metabolites |
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| Module |
| M00113 | Jasmonic acid biosynthesis |
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| Enzyme |
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| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C16328 trans-2-Enoyl-OPC8-CoA
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| Other DBs |
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| KCF data |
ATOM 68
1 C1y C 14.2800 -23.3800
2 C1y C 14.3500 -21.9800
3 C1x C 12.9500 -23.8000
4 C1b C 15.5400 -24.1500
5 C5x C 13.0200 -21.5600
6 C1b C 15.4700 -21.0000
7 C1x C 12.1800 -22.6800
8 C1b C 16.7300 -23.4500
9 O5x O 12.6000 -20.2300
10 C2b C 16.6600 -21.7000
11 C1b C 17.9200 -24.1500
12 C2b C 18.0600 -21.7000
13 C1b C 19.1800 -23.4500
14 C1b C 19.3200 -21.0000
15 C1b C 20.3700 -24.1500
16 C1a C 20.5100 -21.7000
17 C2b C 21.5600 -23.4500
18 C2b C 22.7500 -24.2200
19 C5a C 24.0100 -23.5200
20 S2a S 25.2000 -24.2200
21 C1b C 26.3900 -23.5200
22 C1b C 27.6500 -24.2200
23 N1b N 28.8400 -23.5200
24 C5a C 30.0300 -24.2200
25 C1b C 31.2900 -23.5200
26 C1b C 32.4800 -24.2200
27 N1b N 33.6700 -23.5200
28 C5a C 34.9300 -24.2200
29 C1c C 36.1200 -23.5200
30 C1d C 37.3100 -24.2200
31 C1b C 38.5000 -23.5200
32 O2b O 39.7600 -24.2200
33 O5a O 24.0100 -22.1200
34 O5a O 30.0300 -25.6200
35 O5a O 34.9300 -25.6200
36 O1a O 36.1200 -22.1200
37 C1a C 37.3100 -22.8200
38 C1a C 37.3100 -25.6200
39 P1b P 41.1600 -24.2200
40 O1c O 42.5600 -24.2200
41 O1c O 41.1600 -25.6200
42 C1y C 34.6500 -19.2500
43 C1y C 36.0500 -19.2500
44 C1y C 36.4700 -17.9200
45 O2x O 35.3500 -17.0800
46 C1y C 34.2300 -17.9200
47 C1b C 37.8000 -17.5000
48 O1a O 33.8100 -20.3700
49 O2b O 36.8900 -20.3700
50 P1b P 38.2900 -20.3700
51 O1c O 38.2900 -18.9700
52 O1c O 39.6900 -20.3700
53 O1c O 38.2900 -21.7700
54 C8y C 30.1000 -16.1000
55 C8y C 30.1000 -17.5000
56 N4y N 32.5500 -17.5000
57 C8x C 32.5500 -16.1000
58 N5x N 31.2900 -15.4000
59 C8y C 28.9100 -15.4000
60 N5x N 27.6500 -16.1000
61 C8x C 27.6500 -17.5000
62 N5x N 28.9100 -18.2000
63 N1a N 28.9100 -14.0000
64 O2b O 39.7600 -17.9200
65 P1b P 41.1600 -17.9200
66 O1c O 41.1600 -16.5200
67 O1c O 42.5600 -17.9200
68 O2c O 41.1600 -21.1400
BOND 71
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 1
11 10 12 2
12 11 13 1
13 12 14 1
14 13 15 1
15 14 16 1
16 15 17 1
17 17 18 2
18 5 7 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 30 31 1
32 31 32 1
33 19 33 2
34 24 34 2
35 28 35 2
36 29 36 1 #Down
37 30 37 1
38 30 38 1
39 32 39 1
40 39 40 2
41 39 41 1
42 42 43 1
43 43 44 1
44 44 45 1
45 45 46 1
46 42 46 1
47 44 47 1 #Down
48 42 48 1 #Up
49 43 49 1 #Up
50 49 50 1
51 50 51 1
52 50 52 1
53 50 53 2
54 54 55 2
55 55 56 1
56 56 57 1
57 57 58 2
58 54 58 1
59 54 59 1
60 59 60 2
61 60 61 1
62 61 62 2
63 55 62 1
64 59 63 1
65 46 56 1 #Down
66 47 64 1
67 64 65 1
68 65 66 1
69 65 67 2
70 65 68 1
71 39 68 1
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