KEGG   COMPOUND: C03577Help
Entry
C03577                      Compound                               

Name
20-Hydroxyleukotriene E4;
20-OH-LTE4;
20-OH-Leukotriene E4
Formula
C23H37NO6S
Exact mass
455.2342
Mol weight
455.608
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Arachidonic acid metabolism
Enzyme
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0302 Leukotrienes
    C03577  20-Hydroxy-leukotriene E4
BRITE hierarchy
Other DBs
CAS: 
111844-33-8
PubChem: 
ChEBI: 
LIPIDMAPS: 
LipidBank: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        31
            1   C1c C    18.4303  -13.1731
            2   C1c C    19.5703  -12.5182
            3   S2a S    20.9291  -14.1406
            4   C2b C    17.2903  -12.5122
            5   C1b C    20.7103  -13.1852
            6   O1a O    19.5763  -11.2026
            7   C1b C    22.4809  -14.7618
            8   C2b C    16.1444  -13.1671
            9   C1b C    21.8563  -12.5303
            10  C1c C    22.4809  -16.3382
            11  C2b C    15.0044  -12.5001
            12  C1b C    22.9963  -13.1913
            13  C6a C    23.6268  -16.9992
            14  N1a N    21.2009  -17.0632
            15  C2b C    13.8584  -13.1549
            16  C6a C    24.1422  -12.5365
            17  O6a O    23.6907  -18.3851
            18  O6a O    24.7668  -16.3322
            19  C2b C    12.7184  -12.4940
            20  O6a O    25.2761  -13.2035
            21  O6a O    24.1422  -11.2207
            22  C2b C    11.5603  -13.0155
            23  C1b C    11.5544  -14.6405
            24  C2b C    12.5609  -15.4894
            25  C2b C    13.9251  -15.4833
            26  C1b C    15.0469  -14.8527
            27  C1b C    16.1686  -15.5439
            28  C1b C    17.3329  -14.9134
            29  C1b C    18.4546  -15.6046
            30  C1b C    19.7400  -14.9074
            31  O1a O    20.8983  -15.6531
BOND        30
            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
            30   30  31 1

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