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
1.11.1.12       1.13.11.31      4.2.1.152       5.4.4.7
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
LIPIDMAPS: LMFA03060013 LMFA03060013
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
1.11.1.12       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
LIPIDMAPS: LMFA03060014 LMFA03060014
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: C04805
Entry
C04805                      Compound                               
Name
5(S)-HETE;
5-Hydroxyeicosatetraenoate;
5-HETE;
(6E,8Z,11Z,14Z)-(5S)-5-Hydroxyicosa-6,8,11,14-tetraenoic acid
Formula
C20H32O3
Exact mass
320.2351
Mol weight
320.4663
Structure
Reaction
Pathway
map00590  Arachidonic acid metabolism
map04750  Inflammatory mediator regulation of TRP channels
Enzyme
1.1.1.-         1.11.1.12
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0306 Hydroxy/hydroperoxyeicosatetraenoic acids
    C04805  5(S)-HETE
Other DBs
CAS: 70608-72-9
PubChem: 7367
ChEBI: 28209
LIPIDMAPS: LMFA03060002
3DMET: B01791
NIKKAJI: J390.336B
LinkDB
KCF data

ATOM        23
            1   C1c C    23.9932  -15.4772
            2   C2b C    22.7237  -15.4829
            3   C1b C    25.0815  -16.1148
            4   O1a O    24.0340  -13.7503
            5   C2b C    21.6237  -16.1325
            6   C1b C    26.1757  -15.4772
            7   C2b C    20.5179  -15.4947
            8   C1b C    27.2698  -16.1148
            9   C2b C    19.2599  -15.5006
            10  C6a C    28.3639  -15.4772
            11  C1b C    18.1716  -17.6361
            12  O6a O    29.4639  -16.1091
            13  O6a O    28.3639  -14.2134
            14  C2b C    19.1780  -19.8127
            15  C2b C    20.4477  -19.8068
            16  C1b C    21.5360  -19.1632
            17  C2b C    22.6358  -19.7893
            18  C2b C    23.8880  -19.7834
            19  C1b C    24.9704  -19.1457
            20  C1b C    26.0527  -19.7717
            21  C1b C    27.1353  -19.1398
            22  C1b C    28.2234  -19.7659
            23  C1a C    29.3059  -19.1281
BOND        22
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 2
            5     3   6 1
            6     5   7 1
            7     6   8 1
            8     7   9 2
            9     8  10 1
            10    9  11 1
            11   10  12 1
            12   10  13 2
            13   11  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

» Japanese version

KEGG   COMPOUND: C04742
Entry
C04742                      Compound                               
Name
(15S)-15-Hydroxy-5,8,11-cis-13-trans-eicosatetraenoate;
(15S)-15-Hydroxy-5,8,11-cis-13-trans-icosatetraenoate;
(5Z,8Z,11Z,13E)-(15S)-15-Hydroxyicosa-5,8,11,13-tetraenoic acid;
15(S)-HETE
Formula
C20H32O3
Exact mass
320.2351
Mol weight
320.4663
Structure
Remark
Same as: D08931
Reaction
Pathway
map00590  Arachidonic acid metabolism
map04750  Inflammatory mediator regulation of TRP channels
Enzyme
1.1.1.232       1.11.1.12
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0306 Hydroxy/hydroperoxyeicosatetraenoic acids
    C04742  15(S)-HETE
Other DBs
CAS: 54845-95-3
PubChem: 7313
ChEBI: 15558
LIPIDMAPS: LMFA03060001
3DMET: B01783
NIKKAJI: J303.917J
LinkDB
KCF data

ATOM        23
            1   C2b C    27.7678  -20.8457
            2   C2b C    26.4866  -20.8514
            3   C1b C    28.8660  -21.4892
            4   C1b C    25.3766  -21.5071
            5   C1b C    29.9703  -20.8457
            6   C2b C    24.2606  -20.8634
            7   C1b C    31.0744  -21.4892
            8   C2b C    22.9911  -20.8694
            9   C6a C    32.1787  -20.8457
            10  C1b C    21.8928  -23.0245
            11  O6a O    33.2886  -21.4834
            12  O6a O    32.1787  -19.5703
            13  C2b C    22.9084  -25.2210
            14  C2b C    24.1898  -25.2150
            15  C2b C    25.2880  -24.5655
            16  C2b C    26.3979  -25.1974
            17  C1c C    27.6617  -25.1914
            18  C1b C    28.7540  -24.5479
            19  C1b C    29.8462  -25.1796
            20  C1b C    30.9387  -24.5418
            21  C1b C    32.0368  -25.1737
            22  C1a C    33.1292  -24.5301
            23  O1a O    28.3070  -26.8103
BOND        22
            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     6   8 2
            8     7   9 1
            9     8  10 1
            10    9  11 1
            11    9  12 2
            12   10  13 1
            13   13  14 2
            14   14  15 1
            15   15  16 2
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   17  23 1 #Down

» Japanese version

KEGG   COMPOUND: C02165
Entry
C02165                      Compound                               
Name
Leukotriene B4;
(6Z,8E,10E,14Z)-(5S,12R)-5,12-Dihydroxyeicosa-6,8,10,14-tetraenoate;
(6Z,8E,10E,14Z)-(5S,12R)-5,12-Dihydroxyicosa-6,8,10,14-tetraenoate;
LTB4
Formula
C20H32O4
Exact mass
336.2301
Mol weight
336.4657
Structure
Reaction
Pathway
map00590  Arachidonic acid metabolism
map01100  Metabolic pathways
map03320  PPAR signaling pathway
map04080  Neuroactive ligand-receptor interaction
map04726  Serotonergic synapse
map04750  Inflammatory mediator regulation of TRP channels
map04976  Bile secretion
map07034  Eicosanoids
Enzyme
1.3.1.48        1.14.14.94      3.3.2.6
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Eicosanoids
   Leukotrienes
    C02165  Leukotriene B4
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0302 Leukotrienes
    C02165  Leukotriene B4
Other DBs
CAS: 71160-24-2
PubChem: 5240
ChEBI: 15647 165291
LIPIDMAPS: LMFA03020001
PDB-CCD: LTB[PDBj]
3DMET: B01542
NIKKAJI: J240.041C
LinkDB
KCF data

ATOM        24
            1   C2b C    26.2830  -14.7187
            2   C2b C    24.9723  -14.7247
            3   C1c C    27.4246  -14.0547
            4   C2b C    23.8248  -14.0547
            5   C1b C    28.5721  -14.7071
            6   O1a O    27.4130  -12.7266
            7   C2b C    22.7180  -14.6897
            8   C1b C    29.7082  -14.0373
            9   C2b C    21.6054  -14.0547
            10  C1b C    30.8557  -14.6954
            11  C2b C    20.5045  -14.6838
            12  C6a C    31.9916  -14.0256
            13  C1c C    19.2288  -14.6780
            14  O6a O    33.1448  -14.6780
            15  O6a O    31.9799  -12.7033
            16  C1b C    18.2036  -16.8682
            17  O1a O    19.2171  -13.2857
            18  C2b C    19.2347  -19.0701
            19  C2b C    20.5162  -19.0642
            20  C1b C    21.6113  -18.4177
            21  C1b C    22.7296  -19.0526
            22  C1b C    23.8307  -18.4061
            23  C1b C    24.9549  -19.0352
            24  C1a C    25.8693  -18.2022
BOND        23
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 1 #Up
            6     4   7 2
            7     5   8 1
            8     7   9 1
            9     8  10 1
            10    9  11 2
            11   10  12 1
            12   11  13 1
            13   12  14 1
            14   12  15 2
            15   13  16 1
            16   13  17 1 #Up
            17   16  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

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