KEGG   COMPOUND: C05356
Entry
C05356                      Compound                               

Name
5(S)-HPETE;
5(S)-Hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid;
(6E,8Z,11Z,14Z)-(5S)-5-Hydroperoxyeicosa-6,8,11,14-tetraenoate;
(6E,8Z,11Z,14Z)-(5S)-5-Hydroperoxyeicosa-6,8,11,14-tetraenoic acid;
(5S,6E,8Z,11Z,14Z)-5-Hydroperoxyicosa-6,8,11,14-tetraenoate
Formula
C20H32O4
Exact mass
336.2301
Mol weight
336.4657
Structure
Reaction
Pathway
map00590  Arachidonic acid metabolism
map01100  Metabolic pathways
map04726  Serotonergic synapse
map04913  Ovarian steroidogenesis
map07034  Eicosanoids
Enzyme
1.11.1.9        1.13.11.34
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Eicosanoids
   Leukotrienes
    C05356  5-HPETE
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0104 Hydroperoxy fatty acids
    C05356  (6E,8Z,11Z,14Z)-(5S)-5-Hydroperoxyicosa-6,8,11,14-tetraenoic acid
  FA03 Eicosanoids
   FA0306 Hydroxy/hydroperoxyeicosatetraenoic acids
    C05356  5(S)-HPETE
Other DBs
PubChem: 7733
ChEBI: 15632
ChEMBL: CHEMBL1743204
LIPIDMAPS: LMFA03060012 LMFA03060108
LipidBank: XPR6001
3DMET: B01847
NIKKAJI: J360.970G
LinkDB
KCF data

ATOM        24
            1   C1c C    25.8585  -15.0236
            2   C2b C    24.5904  -15.0294
            3   C1b C    26.9456  -15.6605
            4   O2a O    25.8293  -13.0189
            5   C2b C    23.4916  -15.6782
            6   C1b C    28.0386  -15.0236
            7   O1a O    27.0742  -12.3059
            8   C2b C    22.3871  -15.0411
            9   C1b C    29.1314  -15.6605
            10  C2b C    21.1305  -15.0470
            11  C6a C    30.2243  -15.0236
            12  C1b C    20.0434  -17.1802
            13  O6a O    31.3230  -15.6548
            14  O6a O    30.2243  -13.7613
            15  C2b C    21.0487  -19.3543
            16  C2b C    22.3169  -19.3484
            17  C1b C    23.4040  -18.7055
            18  C2b C    24.5026  -19.3309
            19  C2b C    25.7534  -19.3250
            20  C1b C    26.8346  -18.6881
            21  C1b C    27.9157  -19.3133
            22  C1b C    28.9970  -18.6821
            23  C1b C    30.0839  -19.3075
            24  C1a C    31.1652  -18.6704
BOND        23
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     6   9 1
            9     8  10 2
            10    9  11 1
            11   10  12 1
            12   11  13 1
            13   11  14 2
            14   12  15 1
            15   15  16 2
            16   16  17 1
            17   17  18 1
            18   18  19 2
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1

» Japanese version

KEGG   COMPOUND: C05966
Entry
C05966                      Compound                               

Name
15(S)-HPETE;
(5Z,8Z,11Z,13E)-(15S)-15-Hydroperoxyicosa-5,8,11,13-tetraenoic acid;
15-Hydroperoxyeicosatetraenoate;
15-Hydroperoxyicosatetraenoate;
15-Hydroperoxyeicosatetraenoic acid;
15-Hydroperoxyicosatetraenoic acid;
(5Z,8Z,11Z,13E)-(15S)-15-Hydroperoxyicosa-5,8,11,13-tetraenoate
Formula
C20H32O4
Exact mass
336.2301
Mol weight
336.4657
Structure
Reaction
Pathway
map00590  Arachidonic acid metabolism
map01100  Metabolic pathways
map04726  Serotonergic synapse
map04750  Inflammatory mediator regulation of TRP channels
map04913  Ovarian steroidogenesis
Enzyme
1.11.1.9        1.13.11.33      1.14.14.1
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0104 Hydroperoxy fatty acids
    C05966  (5Z,8Z,11Z,13E)-(15S)-15-Hydroperoxyicosa-5,8,11,13-tetraenoic acid
  FA03 Eicosanoids
   FA0306 Hydroxy/hydroperoxyeicosatetraenoic acids
    C05966  15(S)-HPETE
Other DBs
PubChem: 8250
ChEBI: 15628
ChEMBL: CHEMBL1606580
LIPIDMAPS: LMFA03060014
LipidBank: XPR6003
KNApSAcK: C00000400
3DMET: B01940
NIKKAJI: J461.011C
LinkDB
KCF data

ATOM        24
            1   C1c C    33.1655  -18.1928
            2   C2b C    31.7610  -18.1928
            3   C1b C    34.3875  -18.8950
            4   O2a O    33.5307  -16.8513
            5   C2b C    30.5531  -18.8950
            6   C1b C    35.5885  -18.1928
            7   O1a O    34.8720  -16.4861
            8   C2b C    29.3380  -18.1928
            9   C1b C    36.8034  -18.8950
            10  C2b C    27.9405  -18.1928
            11  C1b C    38.0185  -18.1928
            12  C1b C    26.7254  -18.8950
            13  C1a C    39.2264  -18.8950
            14  C2b C    25.5175  -18.1928
            15  C2b C    24.1130  -18.1928
            16  C1b C    22.8979  -18.8950
            17  C2b C    21.6900  -18.1928
            18  C2b C    20.2855  -18.1928
            19  C1b C    19.0916  -18.8950
            20  C1b C    17.8625  -18.1928
            21  C1b C    16.6476  -18.8950
            22  C6a C    15.4397  -18.1928
            23  O6a O    14.2246  -18.8950
            24  O6a O    15.4397  -16.7953
BOND        23
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     6   9 1
            9     8  10 2
            10    9  11 1
            11   10  12 1
            12   11  13 1
            13   12  14 1
            14   14  15 2
            15   15  16 1
            16   16  17 1
            17   17  18 2
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   22  24 2

» Japanese version

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
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
Other DBs
CAS: 54397-83-0
PubChem: 17395775
ChEBI: 34146
ChEMBL: CHEMBL1526258
LIPIDMAPS: LMFA03060007
LipidBank: DFA8138
NIKKAJI: J356.353G
LinkDB
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

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