 | | COMPOUND: C16321 | |
| Entry |
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| Name |
9(S)-HPOT;
(10E,12Z,15Z)-(9S)-9-Hydroperoxyoctadeca-10,12,15-trienoic acid;
9(S)-HpOTrE;
(9S,10E,12Z,15Z)-9-Hydroperoxy-10,12,15-octadecatrienoate
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| Formula |
C18H30O4
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| Exact mass |
310.2144
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| Mol weight |
310.4284
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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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| Enzyme |
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| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA02 Octadecanoids
FA0200 Other Octadecanoids
C16321 (10E,12Z,15Z)-(9S)-9-Hydroperoxyoctadeca-10,12,15-trienoic acid
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| Other DBs |
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| KCF data |
ATOM 22
1 C1b C 22.5081 -17.7550
2 C1b C 23.6969 -18.4543
3 C1b C 21.3193 -18.4543
4 C1c C 24.9557 -17.7550
5 C1b C 20.0606 -17.7550
6 C1b C 18.8718 -18.4543
7 C1b C 17.6830 -17.7550
8 C1b C 16.4243 -18.4543
9 C6a C 15.2355 -17.7550
10 O6a O 14.0467 -18.4543
11 O6a O 15.2355 -16.3564
12 C2b C 26.2144 -18.4543
13 C2b C 27.4032 -17.7550
14 C2b C 28.5920 -18.4543
15 C2b C 29.9906 -18.4543
16 C1b C 31.1793 -17.7550
17 C2b C 32.4381 -18.4543
18 C2b C 33.8366 -18.4543
19 C1b C 35.0953 -17.7550
20 C1a C 36.2841 -18.4543
21 O2a O 24.9563 -16.3804
22 O1a O 23.7695 -15.6942
BOND 21
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 9 11 2
11 4 12 1
12 12 13 2
13 13 14 1
14 14 15 2
15 15 16 1
16 16 17 1
17 17 18 2
18 18 19 1
19 19 20 1
20 4 21 1 #Down
21 21 22 1
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