KEGG   COMPOUND: C00909
Entry
C00909                      Compound                               
Name
Leukotriene A4;
LTA4;
(7E,9E,11Z,14Z)-(5S,6S)-5,6-Epoxyeicosa-7,9,11,14-tetraenoic acid;
(7E,9E,11Z,14Z)-(5S,6S)-5,6-Epoxyeicosa-7,9,11,14-tetraenoate;
(7E,9E,11Z,14Z)-(5S,6S)-5,6-Epoxyicosa-7,9,11,14-tetraenoate;
(5S,6S,7E,9E,11Z,14Z)-5,6-Epoxyicosa-7,9,11,14-tetraenoate
Formula
C20H30O3
Exact mass
318.2195
Mol weight
318.45
Structure
Reaction
R03057 R03058 R03059 R08527
Pathway
map00590  Arachidonic acid metabolism
map01100  Metabolic pathways
map04726  Serotonergic synapse
map07034  Eicosanoids
Enzyme
1.13.11.34      3.3.2.6         4.4.1.20
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Eicosanoids
   Leukotrienes
    C00909  Leukotriene A4
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0107 Epoxy fatty acids
    C00909  (7E,9E,11Z,14Z)-(5S,6S)-5,6-Epoxyeicosa-7,9,11,14-tetraenoic acid
  FA03 Eicosanoids
   FA0302 Leukotrienes
    C00909  Leukotriene A4
Other DBs
CAS: 72059-45-1
PubChem: 4164
ChEBI: 15651
LIPIDMAPS: LMFA03020023
PDB-CCD: DJ3[PDBj]
NIKKAJI: J138.393K
LinkDB
KCF data

ATOM        23
            1   C1y C    27.3203  -14.4276
            2   C1y C    26.2601  -15.0393
            3   O2x O    26.1730  -13.4439
            4   C1b C    28.3979  -15.0452
            5   C2b C    25.1883  -14.4276
            6   C1b C    29.4581  -14.4336
            7   C2b C    24.1222  -15.0393
            8   C1b C    30.5299  -15.0452
            9   C2b C    23.0505  -14.4276
            10  C6a C    31.5959  -14.4336
            11  C2b C    21.9787  -15.0336
            12  O6a O    32.6734  -15.0510
            13  O6a O    31.6016  -13.1695
            14  C2b C    20.9126  -14.4219
            15  C2b C    19.6836  -14.4276
            16  C1b C    18.6234  -16.5014
            17  C2b C    19.6078  -18.6101
            18  C2b C    20.8428  -18.6044
            19  C1b C    21.8971  -17.9868
            20  C1b C    22.9806  -18.5985
            21  C1b C    24.0348  -17.9694
            22  C1b C    25.1183  -18.5868
            23  C1a C    26.2135  -17.9403
BOND        23
            1     1   2 1
            2     1   3 1 #Up
            3     1   4 1
            4     2   5 1
            5     4   6 1
            6     5   7 2
            7     6   8 1
            8     7   9 1
            9     8  10 1
            10    9  11 2
            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
            23    2   3 1 #Up

» 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
336.46
Structure
Reaction
R03057 R03863 R03864 R03866
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]
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

KEGG   COMPOUND: C02166
Entry
C02166                      Compound                               
Name
Leukotriene C4;
LTC4
Formula
C30H47N3O9S
Exact mass
625.3033
Mol weight
625.78
Structure
Reaction
R03059 R03867 R09875
Pathway
map00590  Arachidonic acid metabolism
map01100  Metabolic pathways
map04080  Neuroactive ligand-receptor interaction
map04664  Fc epsilon RI signaling pathway
map04726  Serotonergic synapse
map04976  Bile secretion
map05310  Asthma
Enzyme
2.3.2.2         3.4.19.14       4.4.1.20
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Eicosanoids
   Leukotrienes
    C02166  Leukotriene C4
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0302 Leukotrienes
    C02166  Leukotriene C4
Other DBs
CAS: 72025-60-6
PubChem: 5241
ChEBI: 16978
LIPIDMAPS: LMFA03020003
PDB-CCD: LTX[PDBj]
NIKKAJI: J263.860F
LinkDB
KCF data

ATOM        43
            1   C1c C    21.1634  -14.2917
            2   C1b C    20.5041  -13.1366
            3   N1b N    20.5101  -15.5226
            4   C5a C    22.4876  -14.2917
            5   S2a S    19.1741  -13.1425
            6   C5a C    21.1691  -16.6775
            7   N1b N    23.1643  -15.4526
            8   O5a O    23.1643  -13.1309
            9   C1c C    18.5441  -11.4625
            10  C1b C    20.5158  -17.8268
            11  O5a O    22.4993  -16.6775
            12  C1b C    24.7101  -15.4526
            13  C1c C    19.6875  -10.8033
            14  C2b C    17.3775  -10.7975
            15  C1b C    19.1800  -17.8326
            16  C6a C    25.3693  -16.6775
            17  C1b C    20.8484  -11.4683
            18  O1a O    19.6875   -9.4616
            19  C2b C    16.2282  -11.4625
            20  C1c C    18.5091  -18.9934
            21  O6a O    26.7051  -16.6717
            22  O6a O    24.7101  -17.8268
            23  C1b C    22.0033  -10.8033
            24  C2b C    15.0733  -10.7975
            25  C6a C    17.1791  -18.9934
            26  N1a N    19.1858  -20.1426
            27  C1b C    23.1584  -11.4683
            28  C2b C    13.9124  -11.4566
            29  O6a O    16.5141  -17.8383
            30  O6a O    16.5141  -20.1485
            31  C6a C    24.3135  -10.8092
            32  C2b C    12.7573  -10.7975
            33  O6a O    25.4684  -11.4742
            34  O6a O    24.3135   -9.4325
            35  C2b C    11.4273  -10.8033
            36  C1b C    10.2898  -13.0375
            37  C2b C    11.3456  -15.3184
            38  C2b C    12.6758  -15.3125
            39  C1b C    13.8250  -14.6358
            40  C1b C    14.9975  -15.3008
            41  C1b C    16.1407  -14.6241
            42  C1b C    17.3075  -15.2834
            43  C1a C    18.2584  -14.4199
BOND        42
            1     1   2 1
            2     1   3 1 #Up
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     9   5 1 #Down
            9     6  10 1
            10    6  11 2
            11    7  12 1
            12    9  13 1
            13    9  14 1
            14   10  15 1
            15   12  16 1
            16   13  17 1
            17   13  18 1 #Up
            18   14  19 2
            19   15  20 1
            20   16  21 1
            21   16  22 2
            22   17  23 1
            23   19  24 1
            24   20  25 1
            25   20  26 1 #Down
            26   23  27 1
            27   24  28 2
            28   25  29 1
            29   25  30 2
            30   27  31 1
            31   28  32 1
            32   31  33 1
            33   31  34 2
            34   32  35 2
            35   35  36 1
            36   36  37 1
            37   37  38 2
            38   38  39 1
            39   39  40 1
            40   40  41 1
            41   41  42 1
            42   42  43 1

» Japanese version

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