KEGG   COMPOUND: C14811Help
Entry
C14811                      Compound                               

Name
Trioxilin B3;
(5Z,8Z,14Z)-(11R,12R)-10,11,12-Trihydroxyeicosa-5,8,14-trienoic acid;
(5Z,8Z,14Z)-(11R,12R)-10,11,12-Trihydroxyicosa-5,8,14-trienoic acid
Formula
C20H34O5
Exact mass
354.2406
Mol weight
354.481
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Arachidonic acid metabolism
Enzyme
3.3.2.-
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0309 Hepoxilins
    C14811  Trioxilin B3
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
LIPIDMAPS: 
LipidBank: 
NIKKAJI: 
KCF data Show

ATOM        25
            1   C2b C    13.9991  -14.5117
            2   C1c C    13.3091  -15.7538
            3   C1c C    13.9991  -16.9267
            4   C1c C    13.3091  -18.0998
            5   C1b C    13.9991  -19.2729
            6   C2b C    15.1721  -18.5828
            7   C2b C    16.5522  -18.5828
            8   C1b C    17.7253  -19.2729
            9   C1b C    18.8982  -18.5828
            10  C1b C    20.0713  -19.2729
            11  C1b C    21.2443  -18.5828
            12  C1a C    22.4173  -19.2729
            13  C2b C    15.4041  -14.5117
            14  C1b C    16.6208  -15.2142
            15  C2b C    17.8377  -14.5117
            16  C2b C    19.2427  -14.5117
            17  C1b C    20.4594  -15.2142
            18  C1b C    21.6650  -14.5428
            19  C1b C    22.8818  -15.2453
            20  C6a C    24.0986  -14.5428
            21  O6a O    25.3153  -15.2453
            22  O6a O    24.0986  -13.1378
            23  O1a O    11.9519  -15.3901
            24  O1a O    15.3991  -16.9267
            25  O1a O    11.9091  -18.0998
BOND        24
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12    1  13 2
            13   13  14 1
            14   14  15 1
            15   15  16 2
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   20  22 2
            22    2  23 1 #Either
            23    3  24 1 #Down
            24    4  25 1 #Up

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