Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : O    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/H2O/h1H2
2 InChIKey InChI 1.03 XLYOFNOQVPJJNP-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 O
4 SMILES CACTVS 3.341 [O]
5 SMILES OpenEye OEToolkits 1.5.0 O
6 Canonical SMILES CACTVS 3.341 [O]
7 Canonical SMILES OpenEye OEToolkits 1.5.0 O