KEGG   COMPOUND: C13901
Entry
C13901                      Compound                               
Name
1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphocholine;
1-Palmitoyl-2-(5-hydroxy-8-oxooct-6-enoyl)-sn-glycero-3-phosphocholine
Formula
C32H60NO10P
Exact mass
649.3955
Mol weight
649.7933
Structure
Brite
Lipids [BR:br08002]
 GP  Glycerophospholipids
  GP20 Oxidized glycerophospholipids
   GP2001 Oxidized glycerophosphocholines
    C13901  1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-phosphocholine
Other DBs
PubChem: 854146
ChEBI: 34120
3DMET: B05680
NIKKAJI: J1.820.518A
LinkDB
KCF data

ATOM        44
            1   C1c C    15.5107  -15.2515
            2   C1b C    15.5107  -16.6053
            3   C1b C    16.7415  -14.6361
            4   O2b O    16.7415  -17.3438
            5   O7a O    16.7415  -13.2822
            6   P1b P    16.7415  -18.6976
            7   C7a C    17.8492  -12.5438
            8   O2b O    17.8492  -19.4361
            9   O1c O    15.5107  -19.4361
            10  O1c O    16.7415  -20.4207 #-
            11  C1b C    19.0799  -13.2822
            12  O6a O    17.8492  -11.1899
            13  C1b C    19.0799  -18.6976
            14  C1b C    20.3107  -12.5438
            15  C1b C    20.3107  -19.4361
            16  C1b C    21.4184  -13.2822
            17  N1d N    21.4184  -18.6976 #+
            18  C1b C    22.6491  -12.5438
            19  C1a C    22.7891  -19.0861
            20  C1a C    21.4184  -17.3438
            21  C1a C    21.7876  -20.0514
            22  C1b C    23.8799  -13.2822
            23  C1b C    24.9876  -12.5438
            24  C1b C    26.2184  -13.2822
            25  C1b C    27.3260  -12.5438
            26  C1b C    28.5568  -13.2822
            27  C1b C    29.7876  -12.5438
            28  C1b C    30.8953  -13.2822
            29  C1b C    32.1260  -12.5438
            30  C1b C    33.2337  -13.2822
            31  C1b C    34.4645  -12.5438
            32  C1a C    35.6952  -13.2822
            33  O7a O    16.7415  -15.9899
            34  C7a C    17.8492  -15.2515
            35  C1b C    19.0799  -15.9899
            36  C1b C    20.3107  -15.2515
            37  O6a O    17.8492  -13.8976
            38  C1b C    21.5415  -15.9899
            39  C1c C    22.6491  -15.2515
            40  C2b C    23.8799  -15.9899
            41  C2b C    25.1107  -15.2515
            42  C4a C    26.2184  -15.9899
            43  O4a O    27.4491  -15.2515
            44  O1a O    22.6491  -13.8976
BOND        43
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     5   7 1
            7     6   8 1
            8     6   9 2
            9     6  10 1
            10    7  11 1
            11    7  12 2
            12    8  13 1
            13   11  14 1
            14   13  15 1
            15   14  16 1
            16   15  17 1
            17   16  18 1
            18   17  19 1
            19   17  20 1
            20   17  21 1
            21   18  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32    1  33 1
            33   33  34 1
            34   34  35 1
            35   35  36 1
            36   34  37 2
            37   36  38 1
            38   38  39 1
            39   39  40 1
            40   40  41 2
            41   41  42 1
            42   42  43 2
            43   39  44 1

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