Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : NSM    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/CH3NO/c1-2-3/h1H3
2 InChIKey InChI 1.03 IMHRONYAKYWGCC-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 O=NC
4 SMILES CACTVS 3.341 CN=O
5 SMILES OpenEye OEToolkits 1.5.0 CN=O
6 Canonical SMILES CACTVS 3.341 CN=O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 CN=O