KEGG   COMPOUND: C13869
Entry
C13869                      Compound                               
Name
1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol
Formula
C49H94O6
Exact mass
778.705
Mol weight
779.2671
Structure
Brite
Lipids [BR:br08002]
 GL  Glycerolipids
  GL03 Triradylglycerols
   GL0301 Triacylglycerols
    C13869  1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol
Other DBs
PubChem: 854114
3DMET: B05658
NIKKAJI: J2.787.061I
LinkDB
KCF data

ATOM        55
            1   C7a C    20.2409  -17.7884
            2   C1b C    21.4552  -17.0874
            3   O6a O    20.2409  -18.9096
            4   C1b C    22.6727  -17.7900
            5   C1b C    23.8865  -17.0892
            6   C1b C    25.1003  -17.7900
            7   C1b C    26.3142  -17.0892
            8   C1b C    27.5281  -17.7900
            9   C1b C    28.7419  -17.0892
            10  C1b C    29.9558  -17.7900
            11  C1b C    31.1696  -17.0892
            12  C1b C    32.3836  -17.7900
            13  C1b C    33.5974  -17.0892
            14  C1b C    34.8112  -17.7900
            15  C1b C    36.0251  -17.0892
            16  C1b C    37.2390  -17.7900
            17  C1a C    38.4528  -17.0892
            18  C1b C    17.3670  -15.7485
            19  C1c C    17.3670  -17.1533
            20  C1b C    17.3670  -18.5579
            21  O7a O    18.7718  -17.1533
            22  O7a O    18.5835  -15.0462
            23  O7a O    18.5835  -19.2604
            24  C7a C    19.8019  -14.3438
            25  C1b C    21.0179  -15.0469
            26  O6a O    19.8028  -13.0328
            27  C7a C    19.8019  -19.9627
            28  C1b C    21.0179  -19.2596
            29  O6a O    19.8028  -21.3206
            30  C1b C    22.2386  -14.3448
            31  C1b C    23.4554  -15.0473
            32  C1b C    24.6722  -14.3448
            33  C1b C    25.8889  -15.0473
            34  C1b C    27.1057  -14.3448
            35  C1b C    28.3225  -15.0473
            36  C1b C    29.5392  -14.3448
            37  C1b C    30.7560  -15.0473
            38  C1b C    31.9728  -14.3448
            39  C1b C    33.1895  -15.0473
            40  C1b C    34.4063  -14.3448
            41  C1b C    35.6231  -15.0473
            42  C1b C    36.8399  -14.3448
            43  C1b C    38.0566  -15.0473
            44  C1b C    39.2734  -14.3448
            45  C1a C    40.5003  -15.0532
            46  C1b C    22.2386  -19.9649
            47  C1b C    23.4554  -19.2624
            48  C1b C    24.6722  -19.9649
            49  C1b C    25.8889  -19.2624
            50  C1b C    27.1057  -19.9649
            51  C1b C    28.3225  -19.2624
            52  C1b C    29.5392  -19.9649
            53  C1b C    30.7560  -19.2624
            54  C1b C    31.9728  -19.9649
            55  C1a C    33.1762  -19.2702
BOND        54
            1     1   2 1
            2     1   3 2
            3     2   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   18  19 1
            18   19  20 1
            19   19  21 1
            20   18  22 1
            21   20  23 1
            22   22  24 1
            23   24  25 1
            24   24  26 2
            25   23  27 1
            26   27  28 1
            27   27  29 2
            28   25  30 1
            29   30  31 1
            30   31  32 1
            31   32  33 1
            32   33  34 1
            33   34  35 1
            34   35  36 1
            35   36  37 1
            36   37  38 1
            37   38  39 1
            38   39  40 1
            39   40  41 1
            40   41  42 1
            41   42  43 1
            42   43  44 1
            43   44  45 1
            44   28  46 1
            45   46  47 1
            46   47  48 1
            47   48  49 1
            48   49  50 1
            49   50  51 1
            50   51  52 1
            51   52  53 1
            52   53  54 1
            53   54  55 1
            54    1  21 1

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