KEGG   COMPOUND: C02166Help
Entry
C02166                      Compound                               

Name
Leukotriene C4;
LTC4
Formula
C30H47N3O9S
Exact mass
625.3033
Mol weight
625.7739
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Arachidonic acid metabolism
Metabolic pathways
Neuroactive ligand-receptor interaction
Fc epsilon RI signaling pathway
Serotonergic synapse
Bile secretion
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
BRITE hierarchy
Other DBs
CAS: 
72025-60-6
PubChem: 
ChEBI: 
ChEMBL: 
LIPIDMAPS: 
LipidBank: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

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

KEGG   COMPOUND: C05951Help
Entry
C05951                      Compound                               

Name
Leukotriene D4;
LTD4
Formula
C25H40N2O6S
Exact mass
496.2607
Mol weight
496.6599
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Arachidonic acid metabolism
Metabolic pathways
Neuroactive ligand-receptor interaction
Fc epsilon RI signaling pathway
Asthma
Enzyme
2.3.2.2         2.3.2.-         3.4.19.14
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Eicosanoids
   Leukotrienes
    C05951  Leukotriene D4
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0302 Leukotrienes
    C05951  Leukotriene D4
BRITE hierarchy
Other DBs
CAS: 
73836-78-9
PubChem: 
ChEBI: 
ChEMBL: 
LIPIDMAPS: 
LipidBank: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        34
            1   C1c C    25.8085  -13.7535
            2   S2a S    26.4302  -15.4057
            3   C1c C    26.9369  -13.0973
            4   C2b C    24.6572  -13.0973
            5   C1b C    27.7428  -15.4000
            6   C1b C    28.0825  -13.7535
            7   O1a O    26.9426  -11.7788
            8   C2b C    23.5288  -13.7477
            9   C1c C    28.3934  -16.5456
            10  C1b C    29.2282  -13.1029
            11  C2b C    22.3832  -13.0914
            12  C5a C    29.7060  -16.5399
            13  N1a N    27.7486  -17.6912
            14  C1b C    30.3623  -13.7592
            15  C2b C    21.2376  -13.7477
            16  N1b N    30.3738  -17.6856
            17  O5a O    30.3738  -15.4000
            18  C6a C    31.5022  -13.1029
            19  C2b C    20.0976  -13.0914
            20  C1b C    31.6863  -17.6856
            21  O6a O    32.6478  -13.7592
            22  O6a O    31.5022  -11.7501
            23  C2b C    18.7851  -13.0973
            24  C6a C    32.3426  -18.8312
            25  C1b C    17.6625  -15.3022
            26  O6a O    33.6552  -18.8253
            27  O6a O    31.6922  -19.9594
            28  C2b C    18.7103  -17.5588
            29  C2b C    20.0228  -17.5532
            30  C1b C    21.1569  -16.8854
            31  C1b C    22.3084  -17.5358
            32  C1b C    23.4366  -16.8680
            33  C1b C    24.5938  -17.5243
            34  C1a C    25.5322  -16.6665
BOND        33
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 1 #Up
            7     4   8 2
            8     5   9 1
            9     6  10 1
            10    8  11 1
            11    9  12 1
            12    9  13 1 #Up
            13   10  14 1
            14   11  15 2
            15   12  16 1
            16   12  17 2
            17   14  18 1
            18   15  19 1
            19   16  20 1
            20   18  21 1
            21   18  22 2
            22   19  23 2
            23   20  24 1
            24   23  25 1
            25   24  26 1
            26   24  27 2
            27   25  28 1
            28   28  29 2
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32   32  33 1
            33   33  34 1

» Japanese version

KEGG   COMPOUND: C05952Help
Entry
C05952                      Compound                               

Name
Leukotriene E4;
LTE4;
(7E,9E,11Z,14Z)-(5S,6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-7,9,11,14-tetraenoate;
(7E,9E,11Z,14Z)-(5S,6R)-6-(Cystein-S-yl)-5-hydroxyicosa-7,9,11,14-tetraenoate
Formula
C23H37NO5S
Exact mass
439.2392
Mol weight
439.6086
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Arachidonic acid metabolism
Metabolic pathways
Neuroactive ligand-receptor interaction
Fc epsilon RI signaling pathway
Enzyme
1.14.13.34      2.3.2.-
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Eicosanoids
   Leukotrienes
    C05952  Leukotriene E4
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0302 Leukotrienes
    C05952  Leukotriene E4
BRITE hierarchy
Other DBs
CAS: 
75715-89-8
PubChem: 
ChEBI: 
ChEMBL: 
LIPIDMAPS: 
LipidBank: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        30
            1   C1c C    26.2512  -14.8484
            2   C1c C    27.3699  -14.2033
            3   S2a S    26.8677  -16.4924
            4   C2b C    25.1095  -14.1976
            5   C1b C    28.5061  -14.8542
            6   O1a O    27.3757  -12.8904
            7   C1b C    28.1692  -16.4867
            8   C2b C    23.9908  -14.8484
            9   C1b C    29.6420  -14.2033
            10  C1c C    28.8143  -17.6169
            11  C2b C    22.8548  -14.1976
            12  C1b C    30.7665  -14.8542
            13  C6a C    30.1158  -17.6169
            14  N1a N    28.1750  -18.7528
            15  C2b C    21.7189  -14.8427
            16  C6a C    31.8966  -14.2091
            17  O6a O    30.7779  -18.7472
            18  O6a O    30.7779  -16.4809
            19  C2b C    20.5886  -14.1920
            20  O6a O    33.0269  -14.8598
            21  O6a O    31.8966  -12.8619
            22  C2b C    19.2871  -14.2033
            23  C1b C    18.1740  -16.3896
            24  C2b C    19.2072  -18.6215
            25  C2b C    20.5144  -18.6159
            26  C1b C    21.6390  -17.9537
            27  C1b C    22.7805  -18.6045
            28  C1b C    23.8994  -17.9423
            29  C1b C    25.0411  -18.5873
            30  C1a C    25.9715  -17.7425
BOND        29
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     7  10 1
            10    8  11 1
            11    9  12 1
            12   10  13 1
            13   10  14 1 #Up
            14   11  15 2
            15   12  16 1
            16   13  17 1
            17   13  18 2
            18   15  19 1
            19   16  20 1
            20   16  21 2
            21   19  22 2
            22   22  23 1
            23   23  24 1
            24   24  25 2
            25   25  26 1
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29   29  30 1

» Japanese version

DBGET integrated database retrieval system