Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 33D    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C6H14O/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3
2 InChIKey InChI 1.03 DUXCSEISVMREAX-UHFFFAOYSA-N
3 SMILES CACTVS 3.352 CC(C)(C)CCO
4 SMILES OpenEye OEToolkits 1.6.1 CC(C)(C)CCO
5 Canonical SMILES CACTVS 3.352 CC(C)(C)CCO
6 Canonical SMILES OpenEye OEToolkits 1.6.1 CC(C)(C)CCO