Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : PPR    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C3H5O6P/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,5,6)(H2,7,8,9)
2 InChIKey InChI 1.03 CHDDAVCOAOFSLD-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 O=C(O)C(=O)CP(=O)(O)O
4 SMILES CACTVS 3.341 OC(=O)C(=O)C[P](O)(O)=O
5 SMILES OpenEye OEToolkits 1.5.0 C(C(=O)C(=O)O)P(=O)(O)O
6 Canonical SMILES CACTVS 3.341 OC(=O)C(=O)C[P](O)(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 C(C(=O)C(=O)O)P(=O)(O)O