Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : PEG    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
2 InChIKey InChI 1.03 MTHSVFCYNBDYFN-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 OCCOCCO
4 SMILES CACTVS 3.370 OCCOCCO
5 SMILES OpenEye OEToolkits 1.7.6 C(COCCO)O
6 Canonical SMILES CACTVS 3.370 OCCOCCO
7 Canonical SMILES OpenEye OEToolkits 1.7.6 C(COCCO)O