KEGG   COMPOUND: C13888
Entry
C13888                      Compound                               
Name
1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1'-myo-inositol
Formula
C43H81O13P
Exact mass
836.5415
Mol weight
837.0692
Structure
Brite
Lipids [BR:br08002]
 GP  Glycerophospholipids
  GP06 Glycerophosphoinositols
   GP0601 Diacylglycerophosphoinositols
    C13888  1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1'-myo-inositol
Other DBs
PubChem: 854133
ChEBI: 34079 73215
3DMET: B05669
NIKKAJI: J2.787.078C
LinkDB
KCF data

ATOM        57
            1   C1y C    25.1288  -19.4563
            2   C1y C    25.8242  -18.2290
            3   C1y C    25.8476  -20.6720
            4   O2b O    23.7260  -19.4738
            5   C1y C    27.2386  -18.2114
            6   O1a O    25.1111  -17.0249
            7   C1y C    27.2445  -20.6603
            8   O1a O    25.1579  -21.8937
            9   P1b P    22.3291  -19.4680
            10  C1y C    27.9400  -19.4330
            11  O1a O    27.9343  -17.0015
            12  O1a O    27.9517  -21.8646
            13  O2b O    20.9379  -19.4738
            14  O1c O    22.3232  -18.0652
            15  O1c O    22.3232  -20.8649
            16  O1a O    29.3428  -19.4272
            17  C1b C    19.7221  -18.7724
            18  C1c C    19.7221  -17.3756
            19  C1b C    18.5122  -16.6742
            20  O7a O    20.9262  -16.6742
            21  O7a O    18.5122  -15.2774
            22  C7a C    20.9319  -15.2714
            23  C7a C    17.2965  -14.5817
            24  O6a O    19.7103  -14.6111
            25  C1b C    22.1301  -14.5526
            26  O6a O    16.0923  -15.3008
            27  C1b C    17.2965  -13.1849
            28  C1b C    23.3210  -15.2461
            29  C1b C    24.5341  -14.5457
            30  C1b C    25.7472  -15.2461
            31  C1b C    26.9603  -14.5457
            32  C1b C    28.1734  -15.2461
            33  C1b C    29.3865  -14.5457
            34  C2b C    30.5996  -15.2461
            35  C2b C    31.9922  -15.2380
            36  C1b C    33.2056  -14.5379
            37  C1b C    34.4179  -15.2384
            38  C1b C    35.6317  -14.5381
            39  C1b C    36.8445  -15.2388
            40  C1b C    38.0586  -14.5384
            41  C1b C    39.2711  -15.2390
            42  C1b C    40.4854  -14.5384
            43  C1a C    41.6980  -15.2390
            44  C1b C    18.5036  -12.4844
            45  C1b C    19.7161  -13.1845
            46  C1b C    20.9286  -12.4844
            47  C1b C    22.1413  -13.1845
            48  C1b C    23.3538  -12.4844
            49  C1b C    24.5663  -13.1845
            50  C1b C    25.7788  -12.4844
            51  C1b C    26.9912  -13.1845
            52  C1b C    28.2037  -12.4844
            53  C1b C    29.4163  -13.1845
            54  C1b C    30.6288  -12.4844
            55  C1b C    31.8414  -13.1845
            56  C1b C    33.0539  -12.4844
            57  C1a C    34.2664  -13.1845
BOND        57
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     3   8 1 #Up
            8     4   9 1
            9     5  10 1
            10    5  11 1 #Up
            11    7  12 1 #Up
            12    9  13 1
            13    9  14 1
            14    9  15 2
            15   10  16 1 #Down
            16   13  17 1
            17   17  18 1
            18   18  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   21  23 1
            23   22  24 2
            24   22  25 1
            25   23  26 2
            26   23  27 1
            27    7  10 1
            28   25  28 1
            29   28  29 1
            30   29  30 1
            31   30  31 1
            32   31  32 1
            33   32  33 1
            34   33  34 1
            35   34  35 2
            36   35  36 1
            37   36  37 1
            38   37  38 1
            39   38  39 1
            40   39  40 1
            41   40  41 1
            42   41  42 1
            43   42  43 1
            44   27  44 1
            45   44  45 1
            46   45  46 1
            47   46  47 1
            48   47  48 1
            49   48  49 1
            50   49  50 1
            51   50  51 1
            52   51  52 1
            53   52  53 1
            54   53  54 1
            55   54  55 1
            56   55  56 1
            57   56  57 1

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