KEGG   COMPOUND: C13878
Entry
C13878                      Compound                               
Name
1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine
Formula
C39H76NO7P
Exact mass
701.5359
Mol weight
701.997
Structure
Brite
Lipids [BR:br08002]
 GP  Glycerophospholipids
  GP17 Glycerophosphonoethanolamines
   GP1701 Diacylglycerophosphonoethanolamines
    C13878  1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonoethanolamine
Other DBs
PubChem: 854123
ChEBI: 34085
3DMET: B05665
NIKKAJI: J2.787.074K
LinkDB
KCF data

ATOM        48
            1   C1c C    19.7320  -17.8652
            2   C1b C    19.7320  -19.2646
            3   C1b C    18.5191  -17.1655
            4   O7a O    20.9448  -17.1655
            5   O2b O    20.9448  -19.9643
            6   O7a O    18.5191  -15.7661
            7   C7a C    20.9448  -15.7661
            8   P1b P    22.3442  -19.9643
            9   C7a C    17.3063  -15.0664
            10  O6a O    19.7320  -15.0664
            11  C1b C    22.1576  -15.0664
            12  C1b C    23.7436  -19.9643
            13  O1c O    22.3442  -18.5649
            14  O1c O    22.3442  -21.3637
            15  O6a O    16.0935  -15.7661
            16  C1b C    17.3063  -13.6670
            17  C1b C    24.4433  -21.1771
            18  N1a N    25.8427  -21.1771
            19  C1b C    23.3705  -15.7661
            20  C1b C    24.5833  -15.0664
            21  C1b C    25.7960  -15.7661
            22  C1b C    27.0089  -15.0664
            23  C1b C    28.2217  -15.7661
            24  C1b C    29.4345  -15.0664
            25  C2b C    30.6474  -15.7661
            26  C2b C    32.0468  -15.7661
            27  C1b C    33.2596  -15.0664
            28  C1b C    34.4724  -15.7661
            29  C1b C    35.6853  -15.0664
            30  C1b C    36.8981  -15.7661
            31  C1b C    38.1108  -15.0664
            32  C1b C    39.3237  -15.7661
            33  C1b C    40.5365  -15.0664
            34  C1a C    41.7493  -15.7661
            35  C1b C    18.5191  -12.9673
            36  C1b C    19.7320  -13.6670
            37  C1b C    20.9448  -12.9673
            38  C1b C    22.1576  -13.6670
            39  C1b C    23.3705  -12.9673
            40  C1b C    24.5833  -13.6670
            41  C1b C    25.7960  -12.9673
            42  C1b C    27.0089  -13.6670
            43  C1b C    28.2217  -12.9673
            44  C1b C    29.4345  -13.6670
            45  C1b C    30.6474  -12.9673
            46  C1b C    31.8602  -13.6670
            47  C1b C    33.0730  -12.9673
            48  C1a C    34.2847  -13.6674
BOND        47
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     6   9 1
            9     7  10 2
            10    7  11 1
            11    8  12 1
            12    8  13 1
            13    8  14 2
            14    9  15 2
            15    9  16 1
            16   12  17 1
            17   17  18 1
            18   11  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 2
            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   32  33 1
            33   33  34 1
            34   16  35 1
            35   35  36 1
            36   36  37 1
            37   37  38 1
            38   38  39 1
            39   39  40 1
            40   40  41 1
            41   41  42 1
            42   42  43 1
            43   43  44 1
            44   44  45 1
            45   45  46 1
            46   46  47 1
            47   47  48 1

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