Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 2ZO    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C7H16NO/c1-8(2,3)6-4-5-7-9/h7H,4-6H2,1-3H3/q+1
2 InChIKey InChI 1.03 OITBLCDWXSXNCN-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=CCCC[N+](C)(C)C
4 SMILES CACTVS 3.385 C[N+](C)(C)CCCC=O
5 SMILES OpenEye OEToolkits 1.7.6 C[N+](C)(C)CCCC=O
6 Canonical SMILES CACTVS 3.385 C[N+](C)(C)CCCC=O
7 Canonical SMILES OpenEye OEToolkits 1.7.6 C[N+](C)(C)CCCC=O