Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : CXL    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2
2 InChIKey InChI 1.03 HPXRVTGHNJAIIH-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 OC1CCCCC1
4 SMILES CACTVS 3.341 OC1CCCCC1
5 SMILES OpenEye OEToolkits 1.5.0 C1CCC(CC1)O
6 Canonical SMILES CACTVS 3.341 OC1CCCCC1
7 Canonical SMILES OpenEye OEToolkits 1.5.0 C1CCC(CC1)O