Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : P6G    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C12H26O7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2
2 InChIKey InChI 1.03 IIRDTKBZINWQAW-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O(CCO)CCOCCOCCOCCOCCO
4 SMILES CACTVS 3.370 OCCOCCOCCOCCOCCOCCO
5 SMILES OpenEye OEToolkits 1.7.0 C(COCCOCCOCCOCCOCCO)O
6 Canonical SMILES CACTVS 3.370 OCCOCCOCCOCCOCCOCCO
7 Canonical SMILES OpenEye OEToolkits 1.7.0 C(COCCOCCOCCOCCOCCO)O