Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : CXE    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C20H42O6/c1-2-3-4-5-6-7-8-9-11-22-13-15-24-17-19-26-20-18-25-16-14-23-12-10-21/h21H,2-20H2,1H3
2 InChIKey InChI 1.03 QAXPOSPGRHYIHE-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 O(CCO)CCOCCOCCOCCOCCCCCCCCCC
4 SMILES CACTVS 3.341 CCCCCCCCCCOCCOCCOCCOCCOCCO
5 SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCOCCOCCOCCOCCOCCO
6 Canonical SMILES CACTVS 3.341 CCCCCCCCCCOCCOCCOCCOCCOCCO
7 Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCOCCOCCOCCOCCOCCO