Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : H9A    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C5H13O3P/c1-4-9(6,7)8-5(2)3/h5H,4H2,1-3H3,(H,6,7)
2 InChIKey InChI 1.03 QSYAHOJZVYVHEY-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 P(OC(C)C)(O)(=O)CC
4 SMILES CACTVS 3.385 CC[P](O)(=O)OC(C)C
5 SMILES OpenEye OEToolkits 2.0.6 CCP(=O)(O)OC(C)C
6 Canonical SMILES CACTVS 3.385 CC[P](O)(=O)OC(C)C
7 Canonical SMILES OpenEye OEToolkits 2.0.6 CCP(=O)(O)OC(C)C