Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : EYO    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C10H20O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h1-10H2
2 InChIKey InChI 1.03 VFTFKUDGYRBSAL-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 C1COCCOCCOCCOCCO1
4 SMILES OpenEye OEToolkits 2.0.7 C1COCCOCCOCCOCCO1
5 Canonical SMILES CACTVS 3.385 C1COCCOCCOCCOCCO1
6 Canonical SMILES OpenEye OEToolkits 2.0.7 C1COCCOCCOCCOCCO1