| Entry |
|
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| Name |
13(S)-HPOT;
(9Z,11E,15Z)-(13S)-Hydroperoxyoctadeca-9,11,15-trienoate;
(9Z,11E,15Z)-(13S)-13-Hydroperoxyoctadeca-9,11,15-trienoic acid;
13(S)-HpOTrE;
13-HPOT
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| Formula |
C18H30O4
|
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| Exact mass |
310.2144
|
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| Mol weight |
310.43
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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
FA01 Fatty Acids and Conjugates
FA0104 Hydroperoxy fatty acids
C04785 (9Z,11E,15Z)-(13S)-13-Hydroperoxyoctadeca-9,11,15-trienoic acid
FA02 Octadecanoids
FA0200 Other Octadecanoids
C04785 (9Z,11E,15Z)-(13S)-13-Hydroperoxyoctadeca-9,11,15-trienoic acid
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 22
1 C1c C 41.6510 -21.3885
2 C2b C 41.6510 -22.7857
3 C1b C 42.8617 -20.6867
4 O2a O 40.4341 -20.6867
5 C2b C 40.4341 -23.4877
6 C2b C 42.8617 -19.2827
7 C2b C 40.4341 -24.8851
8 C2b C 39.2235 -25.5869
9 C1b C 38.0129 -24.8851
10 C1b C 36.7958 -25.5869
11 C1b C 35.5853 -24.8851
12 C1b C 34.3746 -25.5869
13 C1b C 33.1576 -24.8851
14 C1b C 31.9470 -25.5869
15 C1b C 30.7364 -24.8851
16 C6a C 29.5193 -25.5869
17 O6a O 28.3088 -24.8851
18 O6a O 29.5193 -26.9909
19 C2b C 44.0956 -18.5686
20 C1b C 45.2929 -19.2583
21 C1a C 46.4796 -18.5715
22 O1a O 40.4341 -19.2867
BOND 21
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 2
5 3 6 1
6 5 7 1
7 7 8 2
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 15 16 1
16 16 17 1
17 16 18 2
18 6 19 2
19 19 20 1
20 20 21 1
21 4 22 1
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