glycerol   

GtoPdb Ligand ID: 5195

2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 60.69
Molecular weight 92.05
XLogP -1.88
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OCC(CO)O
Isomeric SMILES OCC(CO)O
InChI InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChI Key PEDCQBHIVMGVHV-UHFFFAOYSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
propane-1,2,3-triol
International Nonproprietary Names
INN number INN
444 glycerol
Database Links
CAS Registry No. 56-81-5
ChEBI CHEBI:17754
ChEMBL Ligand CHEMBL692
DrugBank Ligand DB04077
DrugCentral Ligand 1316
GtoPdb PubChem SID 178101883
PubChem CID 753
RCSB PDB Ligand GOL
Search Google for chemical match using the InChIKey PEDCQBHIVMGVHV-UHFFFAOYSA-N
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Search PubMed clinical trials glycerol
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Search UniChem for chemical match using the InChIKey PEDCQBHIVMGVHV-UHFFFAOYSA-N
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Wikipedia Glycerol

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Tocris
Glycerol
Cat. No. 5220