KEGG   DRUG: Pentaerythritol
Entry
D08331                      Drug                                   
Name
Pentaerythritol;
Auxitrans (TN)
Formula
C5H12O4
Exact mass
136.0736
Mol weight
136.1464
Structure
Efficacy
Laxative
Other DBs
CAS: 115-77-5
PubChem: 96025018
ChEBI: 134760
PDB-CCD: 3SY[PDBj]
LigandBox: D08331
NIKKAJI: J5.273F
KCF data

ATOM        9
            1   C1d C    24.1500  -17.9900
            2   C1b C    22.7500  -17.9900
            3   C1b C    25.5500  -17.9900
            4   C1b C    24.1500  -16.5900
            5   C1b C    24.1500  -19.3900
            6   O1a O    25.3400  -15.8900
            7   O1a O    26.2500  -19.1800
            8   O1a O    22.9600  -20.0900
            9   O1a O    22.0500  -16.8000
BOND        8
            1     4   6 1
            2     1   2 1
            3     3   7 1
            4     1   4 1
            5     5   8 1
            6     2   9 1
            7     1   5 1
            8     1   3 1

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Drug (1)   
   LigandBox (1)   
Chemical substance (5)   
   PubChem (1)   
   ChEBI (1)   
   HSDB (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (6)   

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