Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 0FV    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C10H19FO7P2/c1-8(2)5-4-6-9(3)10(11)7-17-20(15,16)18-19(12,13)14/h5H,4,6-7H2,1-3H3,(H,15,16)(H2,12,13,14)/b10-9-
2 InChIKey InChI 1.03 BYJNSLXDWGDGAC-KTKRTIGZSA-N
3 SMILES ACDLabs 12.01 O=P(O)(O)OP(=O)(OCC(\F)=C(/C)CC\C=C(/C)C)O
4 SMILES CACTVS 3.370 CC(C)=CCCC(C)=C(F)CO[P](O)(=O)O[P](O)(O)=O
5 SMILES OpenEye OEToolkits 1.7.6 CC(=CCCC(=C(COP(=O)(O)OP(=O)(O)O)F)C)C
6 Canonical SMILES CACTVS 3.370 CC(C)=CCCC(/C)=C(F)/CO[P](O)(=O)O[P](O)(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.7.6 CC(=CCC/C(=C(/COP(=O)(O)OP(=O)(O)O)\F)/C)C