Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : DW3    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2
2 InChIKey InChI 1.03 WGCNASOHLSPBMP-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 OCC=O
4 SMILES OpenEye OEToolkits 2.0.7 C(C=O)O
5 Canonical SMILES CACTVS 3.385 OCC=O
6 Canonical SMILES OpenEye OEToolkits 2.0.7 C(C=O)O