Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : PG5    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3
2 InChIKey InChI 1.03 YFNKIDBQEZZDLK-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 O(C)CCOCCOCCOC
4 SMILES CACTVS 3.341 COCCOCCOCCOC
5 SMILES OpenEye OEToolkits 1.5.0 COCCOCCOCCOC
6 Canonical SMILES CACTVS 3.341 COCCOCCOCCOC
7 Canonical SMILES OpenEye OEToolkits 1.5.0 COCCOCCOCCOC