Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 4SM    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/Mo.4S/q;;;2*-1
2 InChIKey InChI 1.03 CXVCSRUYMINUSF-UHFFFAOYSA-N
3 SMILES ACDLabs 11.02 [S-][Mo]([S-])(=S)=S
4 SMILES CACTVS 3.352 [S-][Mo]([S-])(=S)=S
5 SMILES OpenEye OEToolkits 1.7.0 [S-][Mo](=S)(=S)[S-]
6 Canonical SMILES CACTVS 3.352 [S-][Mo]([S-])(=S)=S
7 Canonical SMILES OpenEye OEToolkits 1.7.0 [S-][Mo](=S)(=S)[S-]