KEGG   COMPOUND: C14777
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
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
Other DBs
CAS: 54397-83-0
PubChem: 17395775
ChEBI: 34146
ChEMBL: CHEMBL1526258
LIPIDMAPS: LMFA03060007
LipidBank: DFA8138
NIKKAJI: J356.353G
KCF data

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

» Japanese version

KEGG   COMPOUND: C14822
Entry
C14822                      Compound                               

Name
12(R)-HETE;
(5Z,8Z,10E,14Z)-(12R)-12-Hydroxyeicosa-5,8,10,14-tetraenoic acid;
(5Z,8Z,10E,14Z)-(12R)-12-Hydroxyicosa-5,8,10,14-tetraenoic acid
Formula
C20H32O3
Exact mass
320.2351
Mol weight
320.4663
Structure
Pathway
map00590  Arachidonic acid metabolism
map01100  Metabolic pathways
map04925  Aldosterone synthesis and secretion
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0306 Hydroxy/hydroperoxyeicosatetraenoic acids
    C14822  12(R)-HETE
Other DBs
PubChem: 17395820
ChEBI: 34144
ChEMBL: CHEMBL1435825
LIPIDMAPS: LMFA03060008
LipidBank: DFA8136
KNApSAcK: C00000424
NIKKAJI: J260.110I
KCF data

ATOM        23
            1   C2b C    27.6905  -22.9644
            2   C2b C    26.5383  -22.2729
            3   C2b C    25.1095  -22.2729
            4   C1b C    23.9110  -22.9644
            5   C2b C    22.7588  -22.2729
            6   C2b C    21.3761  -22.2729
            7   C1b C    20.1777  -22.9644
            8   C1b C    18.9793  -22.2729
            9   C1b C    17.7810  -22.9644
            10  C6a C    16.5825  -22.2729
            11  O6a O    15.3841  -22.9644
            12  O6a O    16.5825  -20.8901
            13  C2b C    28.9350  -22.2729
            14  C1c C    30.1335  -22.9644
            15  C1b C    31.2856  -22.2729
            16  C2b C    32.4841  -22.9644
            17  C2b C    33.8669  -22.9644
            18  C1b C    35.0652  -22.2729
            19  C1b C    36.2635  -22.9644
            20  C1b C    37.4620  -22.2729
            21  O1a O    30.0874  -24.7617
            22  C1b C    38.6603  -22.9644
            23  C1a C    39.8586  -22.2729
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 #Up
            21   20  22 1
            22   22  23 1

» Japanese version

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