KEGG   DRUG: Glyceryl tristearateHelp
Entry
D10637                      Drug                                   

Name
Glyceryl tristearate (NF)
Formula
C57H110O6
Exact mass
890.8302
Mol weight
891.4797
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Pharmaceutic aid (hardening)
Other DBs
CAS: 555-43-1
PubChem: 254741598
PDB-CCD: TGL[PDBj]
LinkDB All DBs
KCF data Show

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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