KEGG   DRUG: Magnesium glucoheptonate
Entry
D08154                      Drug                                   
Name
Magnesium glucoheptonate;
ratio-Magnesium (TN)
Formula
C13H24MgO15
Exact mass
444.0966
Mol weight
444.6257
Structure
Simcomp
Efficacy
Replenisher (magnesium)
Other DBs
CAS: 18312-25-9
PubChem: 96024844
LinkDB
KCF data

ATOM        29
            1   O1a O    13.5319  -18.2521
            2   C1b C    14.7081  -17.5730
            3   C1c C    15.8844  -18.2521
            4   C1c C    17.0606  -17.5730
            5   C1c C    18.2368  -18.2521
            6   C1c C    19.4131  -17.5730
            7   C7a C    20.5893  -18.2521
            8   O7a O    21.7655  -17.5730
            9   Z   Mg   23.4850  -18.2521
            10  O7a O    25.4082  -17.5730
            11  C7a C    26.5845  -18.2521
            12  C1c C    27.7607  -17.5730
            13  C1c C    28.9369  -18.2521
            14  C1c C    30.1132  -17.5730
            15  C1c C    31.2894  -18.2521
            16  C1c C    32.4656  -17.5730
            17  C1b C    33.6419  -18.2521
            18  O1a O    34.8181  -17.5730
            19  O6a O    20.5893  -19.6103
            20  O6a O    26.5845  -19.6102
            21  O1a O    15.8844  -19.6101
            22  O1a O    28.9369  -19.6103
            23  O1a O    31.2894  -19.6099
            24  O1a O    18.2368  -19.6102
            25  O1a O    19.4131  -16.2151
            26  O1a O    17.0606  -16.2148
            27  O1a O    27.7607  -16.2152
            28  O1a O    30.1132  -16.2148
            29  O1a O    32.4656  -16.2149
BOND        28
            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     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   17  18 1
            18    7  19 2
            19   11  20 2
            20    3  21 1 #Down
            21   13  22 1 #Down
            22   15  23 1 #Up
            23    5  24 1 #Up
            24    6  25 1 #Up
            25    4  26 1 #Up
            26   12  27 1 #Down
            27   14  28 1 #Down
            28   16  29 1 #Down

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