KEGG   COMPOUND: C13807Help
Entry
C13807                      Compound                               

Name
Levuglandin E2;
LGE2;
10,11-Seco-9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoic acid;
10,11-Seco-9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoate
Formula
C20H32O5
Exact mass
352.225
Mol weight
352.4651
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0310 Levuglandins
    C13807  Levuglandin E2
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
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NIKKAJI: 
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KCF data Show

ATOM        25
            1   C1c C    25.2040  -17.8438
            2   C2b C    26.4246  -18.5486
            3   C2b C    27.6452  -17.8438
            4   C1c C    28.8658  -18.5486
            5   C1b C    30.0865  -17.8438
            6   C1b C    31.3071  -18.5486
            7   C1b C    32.5277  -17.8438
            8   C1b C    33.7483  -18.5486
            9   C1a C    34.9689  -17.8438
            10  O1a O    28.8658  -19.9580
            11  C1c C    25.2040  -16.4344
            12  C4a C    23.9825  -18.5486
            13  C5a C    23.9825  -15.7297
            14  C1a C    22.7610  -16.4344
            15  O5a O    23.9825  -14.3203
            16  C1b C    26.4266  -15.7310
            17  C2b C    27.6482  -16.4358
            18  C2b C    29.0578  -16.4358
            19  O4a O    22.7639  -17.8445
            20  C1b C    30.2804  -15.7318
            21  C1b C    31.5022  -16.4366
            22  C1b C    32.7239  -15.7318
            23  C6a C    33.9456  -16.4366
            24  O6a O    35.1674  -15.7318
            25  O6a O    33.9456  -17.6113
BOND        24
            1     1   2 1 #Up
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     4  10 1 #Down
            10    1  11 1
            11    1  12 1
            12   11  13 1
            13   13  14 1
            14   13  15 2
            15   11  16 1 #Down
            16   16  17 1
            17   17  18 2
            18   12  19 2
            19   18  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   23  25 2

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