Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : CYX    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C5H9O4P/c1-5(4-6)2-3-10(7,8)9/h4H,1-3H2,(H2,7,8,9)
2 InChIKey InChI 1.03 UBLMBCUBDKMVMQ-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 O=C\C(=C)CCP(=O)(O)O
4 SMILES CACTVS 3.341 O[P](O)(=O)CCC(=C)C=O
5 SMILES OpenEye OEToolkits 1.5.0 C=C(CCP(=O)(O)O)C=O
6 Canonical SMILES CACTVS 3.341 O[P](O)(=O)CCC(=C)C=O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 C=C(CCP(=O)(O)O)C=O