Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : MH2    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/Mn.H2O/h;1H2/q+3;/p-1
2 InChIKey InChI 1.03 COIFCHMDWGZDDC-UHFFFAOYSA-M
3 SMILES ACDLabs 10.04 [Mn+2]O
4 SMILES CACTVS 3.341 O[Mn++]
5 SMILES OpenEye OEToolkits 1.5.0 O[Mn+2]
6 Canonical SMILES CACTVS 3.341 O[Mn++]
7 Canonical SMILES OpenEye OEToolkits 1.5.0 O[Mn+2]