KEGG   COMPOUND: C04843
Entry
C04843                      Compound                               
Name
(5Z,9E,14Z)-(8xi,11xi,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoate;
(5Z,9E,14Z)-(8xi,11xi,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoic acid;
Trioxilin A3
Formula
C20H34O5
Exact mass
354.2406
Mol weight
354.481
Structure
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0309 Hepoxilins
    C04843  Trioxilin A3
Other DBs
PubChem: 7400
ChEBI: 15630
LIPIDMAPS: LMFA03050022
LipidBank: XPR5011
3DMET: B04965
NIKKAJI: J2.755.942E
KCF data

ATOM        25
            1   C2b C    13.7237  -18.2441
            2   C1c C    13.7237  -19.6407
            3   C2b C    14.9337  -17.5425
            4   C1c C    14.9337  -20.3421
            5   O1a O    12.5137  -20.3421
            6   C1c C    14.9337  -16.1395
            7   C1b C    14.9337  -21.7387
            8   O1a O    16.1500  -19.6407
            9   C1b C    16.1500  -15.4445
            10  O1a O    13.7237  -15.4445
            11  C2b C    16.1500  -22.4403
            12  C2b C    16.1500  -14.0415
            13  C2b C    17.3600  -21.7387
            14  C2b C    17.3600  -13.3399
            15  C1b C    17.3600  -20.3421
            16  C1b C    18.5700  -14.0415
            17  C1b C    18.5700  -19.6407
            18  C1b C    19.7863  -13.3399
            19  C1b C    18.5700  -18.2441
            20  C1b C    20.9963  -14.0415
            21  C1b C    19.7863  -17.5425
            22  C6a C    22.2063  -13.3399
            23  C1a C    19.7863  -16.1395
            24  O6a O    23.4226  -14.0350
            25  O6a O    22.1998  -11.9370
BOND        24
            1     1   2 1
            2     1   3 2
            3     2   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 1 #Up
            8     6   9 1
            9     6  10 1
            10    7  11 1
            11    9  12 1
            12   11  13 2
            13   12  14 2
            14   13  15 1
            15   14  16 1
            16   15  17 1
            17   16  18 1
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   21  23 1
            23   22  24 1
            24   22  25 2

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