KEGG   COMPOUND: C13894
Entry
C13894                      Compound                               

Name
1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine
Formula
C42H85NO7P
Exact mass
746.6064
Mol weight
747.1006
Structure
Brite
Lipids [BR:br08002]
 GP  Glycerophospholipids
  GP01 Glycerophosphocholines
   GP0102 1-alkyl,2-acylglycerophosphocholines
    C13894  1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine
Other DBs
PubChem: 854139
ChEBI: 34112
3DMET: B05674
NIKKAJI: J2.787.085F
KCF data

ATOM        51
            1   C1c C    19.1922  -16.6013
            2   C1b C    19.1922  -17.9785
            3   O7a O    20.3776  -15.9098
            4   C1b C    18.0009  -15.9155
            5   O2b O    20.3776  -18.6642
            6   C7a C    20.3719  -14.5324
            7   O2a O    18.0009  -14.5383
            8   P1b P    21.6443  -18.6642
            9   C1b C    21.5630  -13.8526
            10  O6a O    19.1863  -13.8526
            11  C1b C    16.8097  -13.8583
            12  O2b O    23.1263  -18.6583
            13  O1c O    21.6323  -17.3683
            14  O1c O    21.6323  -20.1169
            15  C1b C    22.8472  -14.4219
            16  C1b C    16.8098  -12.7019
            17  C1b C    23.8701  -19.7335
            18  C1b C    23.9398  -13.8410
            19  C1b C    25.2531  -19.7218
            20  C1b C    25.1371  -14.5267
            21  N1d N    26.0145  -20.8667 #+
            22  C1b C    26.3283  -13.8352
            23  C1a C    28.0541  -20.8259
            24  C1a C    25.3984  -22.0986
            25  C1a C    27.0023  -22.3194
            26  C1b C    27.5252  -14.5209
            27  C1b C    28.7689  -13.7944
            28  C2b C    29.9793  -14.4717
            29  C2b C    31.3637  -14.4874
            30  C1b C    32.5703  -13.7913
            31  C1b C    33.7758  -14.4878
            32  C1b C    34.9829  -13.7915
            33  C1b C    36.1890  -14.4883
            34  C1b C    37.3965  -13.7917
            35  C1b C    38.6023  -14.4884
            36  C1b C    39.8100  -13.7918
            37  C1a C    41.0157  -14.4884
            38  C1b C    18.0240  -12.0011
            39  C1b C    19.2412  -12.7038
            40  C1b C    20.4514  -12.0053
            41  C1b C    21.6648  -12.7059
            42  C1b C    22.8769  -12.0063
            43  C1b C    24.0896  -12.7064
            44  C1b C    25.3021  -12.0066
            45  C1b C    26.5145  -12.7065
            46  C1b C    27.7272  -12.0066
            47  C1b C    28.9393  -12.7065
            48  C1b C    30.1549  -12.0049
            49  C1b C    31.3714  -12.7073
            50  C1b C    32.5823  -12.0083
            51  C1a C    33.7958  -12.7090
BOND        50
            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     6  10 2
            10    7  11 1
            11    8  12 1
            12    8  13 1
            13    8  14 2
            14    9  15 1
            15   11  16 1
            16   12  17 1
            17   15  18 1
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   21  23 1
            23   21  24 1
            24   21  25 1
            25   22  26 1
            26   26  27 1
            27   27  28 1
            28   28  29 2
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32   32  33 1
            33   33  34 1
            34   34  35 1
            35   35  36 1
            36   36  37 1
            37   16  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
            48   48  49 1
            49   49  50 1
            50   50  51 1

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