KEGG   COMPOUND: C13875
Entry
C13875                      Compound                               
Name
1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine
Formula
C42H83NO8P
Exact mass
760.5856
Mol weight
761.0841
Structure
Brite
Lipids [BR:br08002]
 GP  Glycerophospholipids
  GP01 Glycerophosphocholines
   GP0101 Diacylglycerophosphocholines
    C13875  1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine
Other DBs
PubChem: 854120
ChEBI: 181401 34082 73001
LIPIDMAPS: LMGP01010005
KNApSAcK: C00032109
3DMET: B05662
NIKKAJI: J2.228.063E
KCF data

ATOM        52
            1   C1c C    19.8267  -16.5383
            2   C1b C    19.8267  -17.9160
            3   O7a O    21.0125  -15.8465
            4   C1b C    18.6349  -15.8522
            5   O2b O    21.0125  -18.6020
            6   C7a C    21.0068  -14.4685
            7   O7a O    18.6349  -14.4744
            8   P1b P    22.2797  -18.6020
            9   C1b C    22.1984  -13.7884
            10  O6a O    19.8208  -13.7884
            11  C7a C    17.4432  -13.7942
            12  O2b O    23.7622  -18.5961
            13  O1c O    22.2677  -17.3056
            14  O1c O    22.2677  -20.0553
            15  C1b C    23.4831  -14.3580
            16  O6a O    16.2572  -14.4861
            17  C1b C    17.4433  -12.6374
            18  C1b C    24.5062  -19.7417
            19  C1b C    24.5760  -13.7768
            20  C1b C    25.8898  -19.7067
            21  C1b C    25.7737  -14.4628
            22  N1d N    26.6516  -20.8519 #+
            23  C1b C    26.9655  -13.7710
            24  C1a C    28.6920  -20.8345
            25  C1a C    26.0351  -22.0843
            26  C1a C    27.6398  -22.3052
            27  C1b C    28.1629  -14.4570
            28  C1b C    29.4070  -13.7302
            29  C2b C    30.6178  -14.4078
            30  C2b C    32.0027  -14.4235
            31  C1b C    33.2098  -13.7271
            32  C1b C    34.4158  -14.4239
            33  C1b C    35.6233  -13.7273
            34  C1b C    36.8298  -14.4244
            35  C1b C    38.0377  -13.7275
            36  C1b C    39.2440  -14.4245
            37  C1b C    40.4522  -13.7276
            38  C1a C    41.6583  -14.4245
            39  C1b C    18.6580  -11.9363
            40  C1b C    19.8757  -12.6393
            41  C1b C    21.0863  -11.9405
            42  C1b C    22.3002  -12.6414
            43  C1b C    23.5128  -11.9415
            44  C1b C    24.7258  -12.6419
            45  C1b C    25.9388  -11.9418
            46  C1b C    27.1518  -12.6420
            47  C1b C    28.3649  -11.9418
            48  C1b C    29.5775  -12.6420
            49  C1b C    30.7935  -11.9401
            50  C1b C    32.0104  -12.6428
            51  C1b C    33.2218  -11.9435
            52  C1a C    34.4358  -12.6445
BOND        51
            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 2
            16   11  17 1
            17   12  18 1
            18   15  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   21  23 1
            23   22  24 1
            24   22  25 1
            25   22  26 1
            26   23  27 1
            27   27  28 1
            28   28  29 1
            29   29  30 2
            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   37  38 1
            38   17  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
            51   51  52 1

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