KEGG   COMPOUND: C11361
Entry
C11361                      Compound                               
Name
N-Acetylleukotriene E4
Formula
C25H39NO6S
Exact mass
481.2498
Mol weight
481.6453
Structure
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0302 Leukotrienes
    C11361  N-Acetylleukotriene E4
Other DBs
CAS: 80115-95-3
PubChem: 13536
ChEBI: 7210
LIPIDMAPS: LMFA03020078
3DMET: B05520
NIKKAJI: J401.583E
LinkDB
KCF data

ATOM        33
            1   C1c C    25.1665  -21.0335
            2   C1c C    26.2866  -20.3896
            3   S2a S    25.7813  -22.6755
            4   C2b C    24.0299  -20.3839
            5   C1b C    27.4245  -21.0394
            6   O1a O    26.2925  -19.0783
            7   C1b C    27.0879  -22.6697
            8   C2b C    22.9098  -21.0335
            9   C1b C    28.5622  -20.3896
            10  C1c C    27.7320  -23.8015
            11  C2b C    21.7721  -20.3839
            12  C1b C    29.6813  -21.0394
            13  C6a C    29.0315  -23.8015
            14  N1b N    27.0938  -24.9392
            15  C2b C    20.6344  -21.0278
            16  C6a C    30.8131  -20.3955
            17  O6a O    29.6929  -24.9335
            18  O6a O    29.6929  -22.6638
            19  C2b C    19.5095  -20.3781
            20  O6a O    31.9450  -21.0452
            21  O6a O    30.8131  -19.0493
            22  C2b C    18.2030  -20.3896
            23  C1b C    17.0886  -22.5777
            24  C2b C    18.1214  -24.8053
            25  C2b C    19.4339  -24.7996
            26  C1b C    20.5528  -24.1381
            27  C1b C    21.6963  -24.7879
            28  C1b C    22.8166  -24.1264
            29  C1b C    23.9602  -24.7704
            30  C1a C    25.1486  -23.9657
            31  C5a C    27.7896  -26.1099
            32  C1a C    27.1203  -27.3030
            33  O5a O    29.1546  -26.1016
BOND        32
            1     1   4 1
            2     2   5 1
            3     2   6 1 #Up
            4     3   7 1
            5     4   8 2
            6     5   9 1
            7     7  10 1
            8     8  11 1
            9     9  12 1
            10   10  13 1
            11   10  14 1
            12   11  15 2
            13   12  16 1
            14   13  17 1
            15   13  18 2
            16   15  19 1
            17   16  20 1
            18   16  21 2
            19   19  22 2
            20   22  23 1
            21   23  24 1
            22   24  25 2
            23   25  26 1
            24   26  27 1
            25   27  28 1
            26   28  29 1
            27   29  30 1
            28   14  31 1
            29    1   2 1
            30   31  32 1
            31    1   3 1 #Down
            32   31  33 2

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