Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : ZP7    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3/t18-/m0/s1
2 InChIKey InChI 1.03 QHZLMUACJMDIAE-SFHVURJKSA-N
3 SMILES ACDLabs 12.01 OCC(O)COC(=O)CCCCCCCCCCCCCCC
4 SMILES CACTVS 3.385 CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO
5 SMILES OpenEye OEToolkits 2.0.7 CCCCCCCCCCCCCCCC(=O)OCC(CO)O
6 Canonical SMILES CACTVS 3.385 CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO
7 Canonical SMILES OpenEye OEToolkits 2.0.7 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O