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: C04822
Entry
C04822                      Compound                               

Name
8(R)-HPETE;
(5Z,9E,11Z,14Z)-(8R)-8-Hydroperoxyeicosa-5,9,11,14-tetraenoate;
(5Z,9E,11Z,14Z)-(8R)-8-Hydroperoxyicosa-5,9,11,14-tetraenoate
Formula
C20H32O4
Exact mass
336.2301
Mol weight
336.4657
Structure
Reaction
Pathway
map00590  Arachidonic acid metabolism
map04726  Serotonergic synapse
Enzyme
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0306 Hydroxy/hydroperoxyeicosatetraenoic acids
    C04822  8(R)-HPETE
Other DBs
PubChem: 7383
ChEBI: 15629
LIPIDMAPS: LMFA03060037
LipidBank: XPR6014
3DMET: B01793
NIKKAJI: J1.084.991H
LinkDB
KCF data

ATOM        24
            1   C2b C    27.7900  -22.4000
            2   C2b C    26.5300  -22.4000
            3   C1b C    28.9100  -23.0300
            4   C1b C    25.4800  -23.0300
            5   C1b C    30.0300  -22.4000
            6   C1c C    24.3600  -22.4000
            7   C1b C    31.0800  -23.0300
            8   C6a C    32.2000  -22.4000
            9   O6a O    33.2500  -23.0300
            10  O6a O    32.2000  -21.1400
            11  C2b C    23.1700  -23.1000
            12  C2b C    21.9800  -22.4000
            13  C2b C    20.7900  -23.1000
            14  C2b C    20.7900  -24.5000
            15  C1b C    22.0500  -25.2000
            16  C2b C    23.2400  -24.4300
            17  C2b C    24.5000  -24.4300
            18  C1b C    25.7600  -25.1300
            19  C1b C    26.9500  -24.4300
            20  C1b C    28.1400  -25.1300
            21  C1b C    29.4000  -24.4300
            22  C1a C    30.5900  -25.1300
            23  O2a O    24.3465  -21.0001
            24  O1a O    25.3400  -20.0200
BOND        23
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     5   7 1
            7     7   8 1
            8     8   9 1
            9     8  10 2
            10    6  11 1
            11   11  12 2
            12   12  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    6  23 1 #Down
            23   23  24 1

» Japanese version

KEGG   COMPOUND: C14823
Entry
C14823                      Compound                               

Name
8(S)-HPETE;
(5Z,9E,11Z,14Z)-(8S)-8-Hydroperoxyeicosa-5,9,11,14-tetraenoic acid;
(5Z,9E,11Z,14Z)-(8S)-8-Hydroperoxyicosa-5,9,11,14-tetraenoic acid
Formula
C20H32O4
Exact mass
336.2301
Mol weight
336.4657
Structure
Reaction
Pathway
map00590  Arachidonic acid metabolism
map01100  Metabolic pathways
map04726  Serotonergic synapse
Enzyme
1.13.11.-
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0306 Hydroxy/hydroperoxyeicosatetraenoic acids
    C14823  8(S)-HPETE
Other DBs
PubChem: 17395821
ChEBI: 34487
LIPIDMAPS: LMFA03060073
LipidBank: DFA8080
NIKKAJI: J648.945A
LinkDB
KCF data

ATOM        24
            1   C1c C    25.0368  -23.5388
            2   C2b C    26.4067  -24.2254
            3   C1b C    23.8458  -24.2272
            4   C2b C    27.5975  -23.5406
            5   C2b C    22.6618  -23.5388
            6   C2b C    28.7885  -24.2254
            7   C2b C    21.2852  -23.5388
            8   C2b C    30.1584  -24.2254
            9   C1b C    20.1079  -24.2272
            10  C1b C    31.3491  -23.4033
            11  C1b C    18.9101  -23.5388
            12  C2b C    32.5332  -24.1568
            13  C1b C    17.7191  -24.2272
            14  C2b C    33.9100  -24.1568
            15  C6a C    16.5352  -23.5388
            16  C1b C    35.1008  -23.3346
            17  O6a O    15.3444  -24.2272
            18  O6a O    16.5352  -22.1687
            19  C1b C    36.2849  -24.0881
            20  C1b C    37.4759  -23.3346
            21  C1b C    38.6598  -24.0881
            22  C1a C    39.8508  -23.3346
            23  O2a O    24.6846  -22.0881
            24  O1a O    23.3733  -21.7039
BOND        23
            1     1   2 1
            2     1   3 1
            3     2   4 2
            4     3   5 1
            5     4   6 1
            6     5   7 2
            7     6   8 2
            8     7   9 1
            9     8  10 1
            10    9  11 1
            11   10  12 1
            12   11  13 1
            13   12  14 2
            14   13  15 1
            15   14  16 1
            16   15  17 1
            17   15  18 2
            18   16  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22    1  23 1 #Down
            23   23  24 1

» Japanese version

KEGG   COMPOUND: C14821
Entry
C14821                      Compound                               

Name
9(S)-HPETE;
(5Z,7E,11Z,14Z)-(9S)-9-Hydroperoxyeicosa-5,7,11,14-tetraenoic acid;
(5Z,7E,11Z,14Z)-(9S)-9-Hydroperoxyicosa-5,7,11,14-tetraenoic acid
Formula
C20H32O4
Exact mass
336.2301
Mol weight
336.4657
Structure
Reaction
Pathway
map00590  Arachidonic acid metabolism
map04726  Serotonergic synapse
Enzyme
1.13.11.-
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0306 Hydroxy/hydroperoxyeicosatetraenoic acids
    C14821  9(S)-HPETE
Other DBs
PubChem: 17395819
ChEBI: 34497
LIPIDMAPS: LMFA03060072
LipidBank: DFA8081
NIKKAJI: J1.057.873F
LinkDB
KCF data

ATOM        24
            1   C2b C    25.0094  -23.7848
            2   C1c C    26.3823  -23.7848
            3   C2b C    23.8157  -24.4747
            4   C1b C    27.5758  -24.4747
            5   C2b C    22.6291  -23.7848
            6   C2b C    28.7694  -23.7848
            7   C2b C    21.2494  -23.7848
            8   C2b C    30.1424  -23.7848
            9   C1b C    20.0695  -24.4747
            10  C1b C    31.3357  -24.4747
            11  C1b C    18.8691  -23.7848
            12  C2b C    32.5224  -23.7848
            13  C1b C    17.6754  -24.4747
            14  C2b C    33.9023  -23.7848
            15  C6a C    16.4889  -23.7848
            16  C1b C    35.0958  -24.4747
            17  O6a O    15.2954  -24.4747
            18  O6a O    16.4889  -22.4117
            19  C1b C    36.2824  -23.7848
            20  C1b C    37.4761  -24.4747
            21  C1b C    38.6627  -23.7848
            22  C1a C    39.8563  -24.4747
            23  O2a O    26.7354  -21.9180
            24  O1a O    28.0634  -21.4533
BOND        23
            1     1   2 1
            2     1   3 2
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     5   7 2
            7     6   8 2
            8     7   9 1
            9     8  10 1
            10    9  11 1
            11   10  12 1
            12   11  13 1
            13   12  14 2
            14   13  15 1
            15   14  16 1
            16   15  17 1
            17   15  18 2
            18   16  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22    2  23 1 #Up
            23   23  24 1

» Japanese version

KEGG   COMPOUND: C14820
Entry
C14820                      Compound                               

Name
11(R)-HPETE;
(5Z,8Z,12E,14Z)-(11R)-Hydroperoxyeicosa-5,8,12,14-tetraenoic acid;
(5Z,8Z,12E,14Z)-(11R)-Hydroperoxyicosa-5,8,12,14-tetraenoic acid
Formula
C20H32O4
Exact mass
336.2301
Mol weight
336.4657
Structure
Reaction
Pathway
map00590  Arachidonic acid metabolism
map04726  Serotonergic synapse
Enzyme
1.13.11.-
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0306 Hydroxy/hydroperoxyeicosatetraenoic acids
    C14820  11(R)-HPETE
Other DBs
PubChem: 17395818
ChEBI: 34127
LIPIDMAPS: LMFA03060071
LipidBank: DFA8082
NIKKAJI: J2.789.468B
LinkDB
KCF data

ATOM        24
            1   C2b C    25.1351  -23.7883
            2   C2b C    26.5104  -23.7883
            3   C1b C    23.9661  -24.4759
            4   C1b C    27.6794  -24.4759
            5   C2b C    22.7284  -23.7883
            6   C1c C    28.9171  -23.7883
            7   C2b C    21.3531  -23.7883
            8   C1b C    20.1841  -24.4759
            9   C1b C    19.0151  -23.7883
            10  C1b C    17.7774  -24.4759
            11  C6a C    16.6084  -23.7883
            12  O6a O    15.4394  -24.4759
            13  O6a O    16.6084  -22.4130
            14  O2a O    28.9171  -21.8629
            15  C2b C    30.0861  -24.4759
            16  C2b C    31.2551  -23.7883
            17  C2b C    32.4928  -24.4759
            18  C2b C    33.8681  -24.4759
            19  C1b C    35.0371  -23.7883
            20  C1b C    36.2061  -24.4759
            21  C1b C    37.3751  -23.7883
            22  C1b C    38.6128  -24.4759
            23  C1a C    39.7923  -23.7687
            24  O1a O    30.1340  -21.1604
BOND        23
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     5   7 2
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   11  13 2
            13    6  14 1 #Up
            14    6  15 1
            15   16  17 1
            16   16  15 2
            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   14  24 1

» Japanese version

KEGG   COMPOUND: C14812
Entry
C14812                      Compound                               

Name
12(R)-HPETE;
(5Z,8Z,10E,14Z)-(12R)-12-Hydroperoxyeicosa-5,8,10,14-tetraenoic acid;
(5Z,8Z,10E,14Z)-(12R)-12-Hydroperoxyicosa-5,8,10,14-tetraenoic acid
Formula
C20H32O4
Exact mass
336.2301
Mol weight
336.4657
Structure
Reaction
Pathway
map00590  Arachidonic acid metabolism
map01100  Metabolic pathways
map04726  Serotonergic synapse
Enzyme
1.13.11.-
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0306 Hydroxy/hydroperoxyeicosatetraenoic acids
    C14812  12(R)-HPETE
Other DBs
PubChem: 17395810
ChEBI: 34145
LIPIDMAPS: LMFA03060070
LipidBank: XPR6002
NIKKAJI: J1.936.474G
LinkDB
KCF data

ATOM        24
            1   C2b C    27.6262  -23.1930
            2   C2b C    26.4590  -22.4925
            3   C2b C    25.0115  -22.4925
            4   C1b C    23.7974  -23.1930
            5   C2b C    22.6302  -22.4925
            6   C2b C    21.2294  -22.4925
            7   C1b C    20.0154  -23.1930
            8   C1b C    18.8014  -22.4925
            9   C1b C    17.5874  -23.1930
            10  C6a C    16.3733  -22.4925
            11  O6a O    15.1593  -23.1930
            12  O6a O    16.3733  -21.0917
            13  C2b C    28.8869  -22.4925
            14  C1c C    30.1010  -23.1930
            15  C1b C    31.2682  -22.4925
            16  C2b C    32.4823  -23.1930
            17  C2b C    33.8831  -23.1930
            18  C1b C    35.0971  -22.4925
            19  C1b C    36.3110  -23.1930
            20  C1b C    37.5251  -22.4925
            21  O2a O    30.0543  -25.0138
            22  O1a O    28.8403  -25.7141
            23  C1b C    38.7391  -23.1930
            24  C1a C    39.9530  -22.4925
BOND        23
            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   21  22 1
            22   20  23 1
            23   23  24 1

» Japanese version

KEGG   COMPOUND: C05965
Entry
C05965                      Compound                               

Name
12(S)-HPETE;
(5Z,8Z,10E,14Z)-(12S)-12-Hydroperoxyicosa-5,8,10,14-tetraenoic acid;
(5Z,8Z,10E,14Z)-(12S)-12-Hydroperoxyicosa-5,8,10,14-tetraenoate;
12-Hydroperoxyeicosatetraenoate;
12-Hydroperoxyicosatetraenoate;
12-Hydroperoxyeicosatetraenoic acid;
12-Hydroperoxyicosatetraenoic acid
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
Enzyme
1.13.11.31      5.4.4.-
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0104 Hydroperoxy fatty acids
    C05965  (5Z,8Z,10E,14Z)-(12S)-12-Hydroperoxyicosa-5,8,10,14-tetraenoic acid
  FA03 Eicosanoids
   FA0306 Hydroxy/hydroperoxyeicosatetraenoic acids
    C05965  12(S)-HPETE
Other DBs
PubChem: 8249
ChEBI: 15626
ChEMBL: CHEMBL1447811
LIPIDMAPS: LMFA03060013
LipidBank: XPR6002
3DMET: B01939
NIKKAJI: J341.562G
LinkDB
KCF data

ATOM        24
            1   C2b C    22.1668  -16.1934
            2   C2b C    20.9995  -15.4929
            3   C2b C    19.5520  -15.4929
            4   C1b C    18.3379  -16.1934
            5   C2b C    17.1706  -15.4929
            6   C2b C    15.7698  -15.4929
            7   C1b C    14.5558  -16.1934
            8   C1b C    13.3417  -15.4929
            9   C1b C    12.1277  -16.1934
            10  C6a C    10.9136  -15.4929
            11  O6a O     9.6995  -16.1934
            12  O6a O    10.9136  -14.0921
            13  C2b C    23.4275  -15.4929
            14  C1c C    24.6416  -16.1934
            15  C1b C    25.8089  -15.4929
            16  C2b C    27.0230  -16.1934
            17  C2b C    28.4238  -16.1934
            18  C1b C    29.6378  -15.4929
            19  C1b C    30.8518  -16.1934
            20  C1b C    32.0659  -15.4929
            21  O2a O    24.5949  -17.5942
            22  O1a O    23.3809  -18.2946
            23  C1b C    33.2799  -16.1934
            24  C1a C    34.4939  -15.4929
BOND        23
            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   21  22 1
            22   20  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

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