KEGG   COMPOUND: C14777Help
Entry
C14777                      Compound                               

Name
12(S)-HETE;
(5Z,8Z,10E,14Z)-(12S)-12-Hydroxyeicosa-5,8,10,14-tetraenoic acid;
(5Z,8Z,10E,14Z)-(12S)-12-Hydroxyicosa-5,8,10,14-tetraenoic acid
Formula
C20H32O3
Exact mass
320.2351
Mol weight
320.4663
Structure
Mol fileKCF fileDB searchJmolKegDraw
Pathway
Arachidonic acid metabolism
Ovarian steroidogenesis
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0306 Hydroxy/hydroperoxyeicosatetraenoic acids
    C14777  12(S)-HETE
Target-based classification of compounds [BR:br08010]
 G Protein-coupled receptors
  Rhodopsin family: other receptors
   Leukotriene B4 receptor
    leukotriene B4 receptor 1
     C14777  12(S)-HETE
    leukotriene B4 receptor 2
     C14777  12(S)-HETE
BRITE hierarchy
Other DBs
CAS: 
54397-83-0
PubChem: 
ChEBI: 
LIPIDMAPS: 
LipidBank: 
NIKKAJI: 
KCF data Show

ATOM        23
            1   C2b C    22.1662  -16.1930
            2   C2b C    20.9990  -15.4925
            3   C2b C    19.5515  -15.4925
            4   C1b C    18.3374  -16.1930
            5   C2b C    17.1702  -15.4925
            6   C2b C    15.7694  -15.4925
            7   C1b C    14.5554  -16.1930
            8   C1b C    13.3414  -15.4925
            9   C1b C    12.1274  -16.1930
            10  C6a C    10.9133  -15.4925
            11  O6a O     9.6993  -16.1930
            12  O6a O    10.9133  -14.0917
            13  C2b C    23.4269  -15.4925
            14  C1c C    24.6410  -16.1930
            15  C1b C    25.8082  -15.4925
            16  C2b C    27.0223  -16.1930
            17  C2b C    28.4231  -16.1930
            18  C1b C    29.6371  -15.4925
            19  C1b C    30.8510  -16.1930
            20  C1b C    32.0651  -15.4925
            21  O1a O    24.5943  -17.5938
            22  C1b C    33.2791  -16.1930
            23  C1a C    34.4930  -15.4925
BOND        22
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 2
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   10  12 2
            12    1  13 2
            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   14  21 1 #Down
            21   20  22 1
            22   22  23 1

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