Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : FPP    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+
2 InChIKey InChI 1.03 VWFJDQUYCIWHTN-YFVJMOTDSA-N
3 SMILES ACDLabs 10.04 O=P(OC/C=C(/CC\C=C(/C)CC\C=C(/C)C)C)(OP(=O)(O)O)O
4 SMILES CACTVS 3.341 CC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(O)=O
5 SMILES OpenEye OEToolkits 1.5.0 CC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C
6 Canonical SMILES CACTVS 3.341 CC(C)=CCCC(/C)=C/CCC(/C)=C/CO[P@](O)(=O)O[P](O)(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C