KEGG   COMPOUND: C14772
Entry
C14772                      Compound                               
Name
5,6-DHET;
(8Z,11Z,14Z)-5,6-Dihydroxyeicosa-8,11,14-trienoic acid;
(8Z,11Z,14Z)-5,6-Dihydroxyicosa-8,11,14-trienoic acid
Formula
C20H34O4
Exact mass
338.2457
Mol weight
338.4816
Structure
Reaction
Pathway
map00590  Arachidonic acid metabolism
map01100  Metabolic pathways
map04726  Serotonergic synapse
Enzyme
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0305 Hydroxy/hydroperoxyeicosatrienoic acids
    C14772  5,6-DHET
Other DBs
PubChem: 17395770
ChEBI: 63974
LIPIDMAPS: LMFA03050004
NIKKAJI: J373.279G
KCF data

ATOM        24
            1   C1c C    22.3258  -14.9690
            2   C1c C    21.0000  -14.9751
            3   C1b C    23.4624  -15.6349
            4   C1b C    19.8512  -15.6534
            5   C1b C    24.6051  -14.9690
            6   C2b C    18.6965  -14.9873
            7   C1b C    25.7477  -15.6349
            8   C2b C    17.3827  -14.9935
            9   C6a C    26.8903  -14.9690
            10  C1b C    16.2461  -16.8578
            11  O6a O    28.0390  -15.6290
            12  O6a O    26.8903  -13.6493
            13  C2b C    17.2972  -18.7649
            14  C2b C    18.6231  -18.7588
            15  C1b C    19.7597  -18.0866
            16  C2b C    20.9082  -18.7405
            17  C2b C    22.2160  -18.7343
            18  C1b C    23.3463  -18.0684
            19  C1b C    24.4766  -18.7221
            20  C1b C    25.6071  -18.0622
            21  C1b C    26.7435  -18.7160
            22  C1a C    27.8740  -18.0499
            23  O1a O    20.6292  -13.6300
            24  O1a O    22.6870  -13.6263
BOND        23
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     5   7 1
            7     6   8 2
            8     7   9 1
            9     8  10 1
            10    9  11 1
            11    9  12 2
            12   10  13 1
            13   13  14 2
            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    2  23 1
            23    1  24 1

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