KEGG   COMPOUND: C05952
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
439.61
Structure
Reaction
R04256 R05055 R05207
Pathway
map00590  Arachidonic acid metabolism
map01100  Metabolic pathways
map04080  Neuroactive ligand-receptor interaction
map04664  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
Other DBs
CAS: 75715-89-8
PubChem: 8236
ChEBI: 15650
LIPIDMAPS: LMFA03020002
NIKKAJI: J264.600E
LinkDB
KCF data

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

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