Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 14V    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C20H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)16-19(22)17-20(23)24/h2-17H2,1H3,(H,23,24)
2 InChIKey InChI 1.03 DAKTXSDZCYKITO-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C(CC(=O)CC(=O)O)CCCCCCCCCCCCCCC
4 SMILES CACTVS 3.370 CCCCCCCCCCCCCCCC(=O)CC(=O)CC(O)=O
5 SMILES OpenEye OEToolkits 1.7.2 CCCCCCCCCCCCCCCC(=O)CC(=O)CC(=O)O
6 Canonical SMILES CACTVS 3.370 CCCCCCCCCCCCCCCC(=O)CC(=O)CC(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.7.2 CCCCCCCCCCCCCCCC(=O)CC(=O)CC(=O)O