Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 09V    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2
2 InChIKey InChI 1.03 GUDMZGLFZNLYEY-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 OCC1CC1
4 SMILES CACTVS 3.370 OCC1CC1
5 SMILES OpenEye OEToolkits 1.7.6 C1CC1CO
6 Canonical SMILES CACTVS 3.370 OCC1CC1
7 Canonical SMILES OpenEye OEToolkits 1.7.6 C1CC1CO