Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 6ER    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C20H41NO8P/c1-6-8-10-12-19(22)26-16-18(29-20(23)13-11-9-7-2)17-28-30(24,25)27-15-14-21(3,4)5/h18,24H,6-17H2,1-5H3/t18-/m0/s1
2 InChIKey InChI 1.03 ZQODAMILHYQXDS-SFHVURJKSA-N
3 SMILES CACTVS 3.385 CCCCCC(=O)OC[CH](CO[P]([OH-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC
4 SMILES OpenEye OEToolkits 2.0.5 CCCCCC(=O)OCC(COP(=O)([OH-])OCC[N+](C)(C)C)OC(=O)CCCCC
5 Canonical SMILES CACTVS 3.385 CCCCCC(=O)OC[C@@H](CO[P]([OH-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC
6 Canonical SMILES OpenEye OEToolkits 2.0.5 CCCCCC(=O)OC[C@@H](COP(=O)([OH-])OCC[N+](C)(C)C)OC(=O)CCCCC