Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : AXO    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C2H5NO/c1-2-3-4/h2,4H,1H3/b3-2+
2 InChIKey InChI 1.03 FZENGILVLUJGJX-NSCUHMNNSA-N
3 SMILES ACDLabs 12.01 N(/O)=C\C
4 SMILES CACTVS 3.385 CC=NO
5 SMILES OpenEye OEToolkits 1.7.6 CC=NO
6 Canonical SMILES CACTVS 3.385 C/C=N/O
7 Canonical SMILES OpenEye OEToolkits 1.7.6 C/C=N/O