Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : EDO    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
2 InChIKey InChI 1.03 LYCAIKOWRPUZTN-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 OCCO
4 SMILES CACTVS 3.341 OCCO
5 SMILES OpenEye OEToolkits 1.5.0 C(CO)O
6 Canonical SMILES CACTVS 3.341 OCCO
7 Canonical SMILES OpenEye OEToolkits 1.5.0 C(CO)O