Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : PGR    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1
2 InChIKey InChI 1.03 DNIAPMSPPWPWGF-GSVOUGTGSA-N
3 SMILES ACDLabs 10.04 OCC(O)C
4 SMILES CACTVS 3.341 C[CH](O)CO
5 SMILES OpenEye OEToolkits 1.5.0 CC(CO)O
6 Canonical SMILES CACTVS 3.341 C[C@@H](O)CO
7 Canonical SMILES OpenEye OEToolkits 1.5.0 C[C@H](CO)O