KEGG   COMPOUND: C14811Help
Entry
C14811                      Compound                               

Name
Trioxilin B3;
(5Z,8Z,14Z)-(11S,12R)-10,11,12-Trihydroxyeicosa-5,8,14-trienoic acid;
(5Z,8Z,14Z)-(11S,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   C1c C    23.2904  -24.4696
            2   C1c C    24.6495  -24.4696
            3   C2b C    24.6495  -21.7077
            4   C2b C    23.2904  -21.7077
            5   C1c C    22.6108  -23.0887
            6   C1b C    25.8048  -22.3629
            7   C2b C    26.9765  -21.6743
            8   C2b C    28.3192  -21.6834
            9   C1b C    29.4745  -22.3629
            10  C1b C    30.6570  -21.6930
            11  C1b C    31.8039  -22.3678
            12  C6a C    32.9741  -21.7047
            13  O6a O    34.1112  -22.3735
            14  O6a O    32.9858  -20.3250
            15  C1b C    25.8048  -23.7900
            16  C2b C    26.9873  -24.4600
            17  C2b C    28.3192  -24.3996
            18  C1b C    29.4745  -23.7900
            19  C1b C    30.6570  -24.4600
            20  C1b C    31.8039  -23.7852
            21  C1b C    32.9741  -24.4482
            22  C1a C    34.1112  -23.7794
            23  O1a O    21.0480  -23.0887
            24  O1a O    22.5423  -25.9508
            25  O1a O    25.0247  -26.1261
BOND        24
            1     1   2 1
            2     3   4 2
            3     4   5 1
            4     1   5 1
            5     3   6 1
            6     6   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   12  14 2
            14    2  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    5  23 1 #Either
            23    1  24 1 #Down
            24    2  25 1 #Up

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