KEGG   COMPOUND: C14809Help
Entry
C14809                      Compound                               

Name
Trioxilin A3;
(5Z,9E,14Z)-(11R,12S)-8,11,12-Trihydroxyeicosa-5,9,14-trienoic acid;
(5Z,9E,14Z)-(11R,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoic acid
Formula
C20H34O5
Exact mass
354.2406
Mol weight
354.481
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Arachidonic acid metabolism
Enzyme
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0309 Hepoxilins
    C14809  Trioxilin A3
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
LIPIDMAPS: 
LipidBank: 
NIKKAJI: 
KCF data Show

ATOM        25
            1   C1b C    28.4024  -19.8431
            2   C1b C    29.6024  -20.5490
            3   C1b C    30.8024  -19.8431
            4   C6a C    32.0024  -20.5490
            5   O6a O    33.2025  -19.8431
            6   C2b C    27.2024  -20.5490
            7   O6a O    32.0024  -21.9608
            8   C2b C    25.7906  -20.5490
            9   C1b C    24.5906  -19.8431
            10  C1c C    23.3906  -20.5490
            11  C2b C    24.0965  -21.7491
            12  C2b C    23.3906  -23.0197
            13  C1c C    24.0965  -24.2196
            14  C1c C    23.3906  -25.4197
            15  C1b C    24.0965  -26.6197
            16  C2b C    25.2965  -25.9138
            17  C2b C    26.7083  -25.9138
            18  C1b C    27.9083  -26.6197
            19  C1b C    29.1083  -25.9138
            20  C1b C    30.3083  -26.6197
            21  C1b C    31.5083  -25.9138
            22  C1a C    32.7083  -26.6197
            23  O1a O    21.8140  -19.9848
            24  O1a O    25.5441  -24.2201
            25  O1a O    22.0068  -25.4193
BOND        24
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   6 1
            6     4   7 2
            7     6   8 2
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 2
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 2
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   10  23 1 #Either
            23   13  24 1 #Up
            24   14  25 1 #Down

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