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 search
Pathway
map00590  Arachidonic acid metabolism
map04913  Ovarian steroidogenesis
map04925  Aldosterone synthesis and secretion
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: 17395775
ChEBI: 34146
ChEMBL: CHEMBL1526258
LIPIDMAPS: LMFA03060007
LipidBank: DFA8138
NIKKAJI: J356.353G
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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Ontology (2)   
   KEGG BRITE (2)   
Pathway (3)   
   KEGG PATHWAY (3)   
Drug (1)   
   CHEMBL (1)   
Chemical substance (14)   
   PubChem (1)   
   ChEBI (1)   
   LipidBank (1)   
   LIPIDMAPS (1)   
   MASSBANK (9)   
   NIKKAJI (1)   
All databases (20)   

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