Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : DCR    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)
2 InChIKey InChI 1.03 VKOBVWXKNCXXDE-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 O=C(O)CCCCCCCCCCCCCCCCCCC
4 SMILES CACTVS 3.341 CCCCCCCCCCCCCCCCCCCC(O)=O
5 SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCCCCCCCCCCC(=O)O
6 Canonical SMILES CACTVS 3.341 CCCCCCCCCCCCCCCCCCCC(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCCCCCCCCCCC(=O)O