Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 01F    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C3H6O3/c1-2-6-3(4)5/h2H2,1H3,(H,4,5)
2 InChIKey InChI 1.03 CQDGTJPVBWZJAZ-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C(O)OCC
4 SMILES CACTVS 3.370 CCOC(O)=O
5 SMILES OpenEye OEToolkits 1.7.0 CCOC(=O)O
6 Canonical SMILES CACTVS 3.370 CCOC(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.7.0 CCOC(=O)O