KEGG   DRUG: Monoctanoin
Entry
D05073                      Drug                                   
Name
Monoctanoin (USAN);
Moctanin (TN)
Formula
C3H6O3(R1)(R2)
Structure
Efficacy
Anticholelithogenic
Comment
Mixture of glycerol 1-octanoate (80 to 85 percent), glycerol 1-decanoate and glycerol 1,2-diocttanoate (10 to 15 percent), and free glycerol (maximum 2.5 precent)
glycerol 1-octanoate (R1 = -CO(CH2)6CH3, R2 = -H)
glycerol 1-decanoate (R1 = -CO(CH2)8CH3, R2 = -H)
glycerol 1,2-diocttanoate (R1 = -CO(CH2)6CH3, R2 = -CO(CH2)6CH3)
free glycerol (R1 = -H, R2 = -H)
Anticholelithic (dissolution of gallstones)
Other DBs
PubChem: 47206800
LinkDB
KCF data

ATOM        8
            1   O2a O    20.0739  -15.2826
            2   C1b C    21.1735  -14.6477
            3   C1c C    22.2733  -15.2826
            4   C1b C    23.3729  -14.6477
            5   O1a O    24.4725  -15.2826
            6   O2a O    22.2733  -16.5522
            7   Z   R#   18.5305  -14.5209
            8   Z   R#   21.1736  -17.8210
BOND        7
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     3   6 1
            6     1   7 1
            7     6   8 1

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