Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : KNA    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)
2 InChIKey InChI 1.03 FBUKVWPVBMHYJY-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C(O)CCCCCCCC
4 SMILES CACTVS 3.370 CCCCCCCCC(O)=O
5 SMILES OpenEye OEToolkits 1.7.2 CCCCCCCCC(=O)O
6 Canonical SMILES CACTVS 3.370 CCCCCCCCC(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.7.2 CCCCCCCCC(=O)O