Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 6LR    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2
2 InChIKey InChI 1.03 YNAVUWVOSKDBBP-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 N1CCOCC1
4 SMILES CACTVS 3.385 C1COCCN1
5 SMILES OpenEye OEToolkits 2.0.4 C1COCCN1
6 Canonical SMILES CACTVS 3.385 C1COCCN1
7 Canonical SMILES OpenEye OEToolkits 2.0.4 C1COCCN1