Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : PEJ    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.06 InChI=1S/HIO4/c2-1(3,4)5/h(H,2,3,4,5)/p-1
2 InChIKey InChI 1.06 KHIWWQKSHDUIBK-UHFFFAOYSA-M
3 SMILES ACDLabs 10.04 [O-]I(=O)(=O)=O
4 SMILES CACTVS 3.385 [O-][I](=O)(=O)=O
5 SMILES OpenEye OEToolkits 2.0.7 [O-]I(=O)(=O)=O
6 Canonical SMILES CACTVS 3.385 [O-][I](=O)(=O)=O
7 Canonical SMILES OpenEye OEToolkits 2.0.7 [O-]I(=O)(=O)=O