Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : NCO    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.02b InChI=1/Co.6H3N/h;6*1H3/q+3;;;;;;/rCoH18N6/c2-1(3,4,5,6)7/h2-7H3/q+3
2 InChIKey InChI 1.02b DYLMFCCYOUSRTK-FGTKAUEHAT
3 SMILES CACTVS 3.341 N|[Co+3](|N)(|N)(|N)(|N)|N
4 SMILES OpenEye OEToolkits 1.5.0 [NH3][Co+3]([NH3])([NH3])([NH3])([NH3])[NH3]
5 Canonical SMILES CACTVS 3.341 N|[Co+3](|N)(|N)(|N)(|N)|N
6 Canonical SMILES OpenEye OEToolkits 1.5.0 [NH3][Co+3]([NH3])([NH3])([NH3])([NH3])[NH3]