KEGG   DRUG: Glyceryl tristearate
Entry
D10637                      Drug                                   
Name
Glyceryl tristearate (NF)
Formula
C57H110O6
Exact mass
890.8302
Mol weight
891.48
Structure
Simcomp
Efficacy
Pharmaceutic aid (hardening)
Other DBs
CAS: 555-43-1
PubChem: 254741598
PDB-CCD: TGL[PDBj]
LinkDB
KCF data

ATOM        63
            1   C7a C    22.4657  -17.6261
            2   O7a O    23.6647  -16.9208
            3   C1b C    24.7931  -17.6261
            4   C1c C    25.9215  -16.9208
            5   C1b C    27.0498  -17.6261
            6   O7a O    28.1782  -16.9208
            7   C7a C    29.3772  -17.6261
            8   C1b C    30.6467  -16.9208
            9   O7a O    25.9215  -15.5103
            10  O6a O    22.4657  -18.8955
            11  O6a O    29.3772  -18.8955
            12  C1b C    31.7751  -17.6261
            13  C1b C    33.2561  -16.9208
            14  C7a C    24.7931  -14.8050
            15  O6a O    24.7931  -13.4651
            16  C1b C    23.5941  -15.5103
            17  C1b C    22.3247  -14.8050
            18  C1b C    21.1257  -15.5103
            19  C1b C    19.9268  -14.8050
            20  C1b C    18.6573  -15.5103
            21  C1b C    17.4584  -14.8050
            22  C1b C    16.2595  -15.5103
            23  C1b C    14.9901  -14.8050
            24  C1b C    13.7911  -15.5103
            25  C1b C    12.5922  -14.8050
            26  C1b C    11.3227  -15.5103
            27  C1b C    10.1238  -14.8050
            28  C1b C     8.9248  -15.5103
            29  C1b C     7.7259  -14.8050
            30  C1b C     6.4565  -15.5103
            31  C1b C     5.2576  -14.8050
            32  C1b C    21.2668  -16.9208
            33  C1b C    19.9973  -17.6261
            34  C1b C    18.7984  -16.9208
            35  C1b C    17.5994  -17.6261
            36  C1b C    16.3301  -16.9208
            37  C1b C    15.1311  -17.6261
            38  C1b C    13.9322  -16.9208
            39  C1b C    12.6627  -17.6261
            40  C1b C    11.4638  -16.9208
            41  C1b C    10.2648  -17.6261
            42  C1b C     8.9953  -16.9208
            43  C1b C     7.7964  -17.6261
            44  C1b C     6.5975  -16.9208
            45  C1b C     5.3986  -17.6261
            46  C1b C     4.1291  -16.9208
            47  C1b C     2.9302  -17.6261
            48  C1b C    34.4551  -17.6261
            49  C1b C    35.7245  -16.9208
            50  C1b C    36.9234  -17.6261
            51  C1b C    38.1223  -16.9208
            52  C1b C    39.3918  -17.6261
            53  C1b C    40.5907  -16.9208
            54  C1b C    41.7897  -17.6261
            55  C1b C    43.0591  -16.9208
            56  C1b C    44.2581  -17.6261
            57  C1b C    45.4570  -16.9208
            58  C1b C    46.7264  -17.6261
            59  C1b C    47.9253  -16.9208
            60  C1b C    49.1243  -17.6261
            61  C1a C     4.0451  -15.5050
            62  C1a C     1.7178  -16.9261
            63  C1a C    50.3367  -16.9261
BOND        62
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     4   9 1
            8     1  10 2
            9     7  11 2
            10    9  14 1
            11   14  15 2
            12    7   8 1
            13    8  12 1
            14   12  13 1
            15   14  16 1
            16   16  17 1
            17   17  18 1
            18   18  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 1
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 1
            31    1  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   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   13  48 1
            48   48  49 1
            49   49  50 1
            50   50  51 1
            51   51  52 1
            52   52  53 1
            53   53  54 1
            54   54  55 1
            55   55  56 1
            56   56  57 1
            57   57  58 1
            58   58  59 1
            59   59  60 1
            60   31  61 1
            61   47  62 1
            62   60  63 1

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