Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : LAP    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C20H42NO7P/c1-5-6-7-8-9-10-11-12-13-14-20(23)26-17-19(22)18-28-29(24,25)27-16-15-21(2,3)4/h19,22H,5-18H2,1-4H3/p+1
2 InChIKey InChI 1.03 BWKILASWCLJPBO-UHFFFAOYSA-O
3 SMILES ACDLabs 10.04 O=C(OCC(O)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCC
4 SMILES CACTVS 3.341 CCCCCCCCCCCC(=O)OCC(O)CO[P](O)(=O)OCC[N+](C)(C)C
5 SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O
6 Canonical SMILES CACTVS 3.341 CCCCCCCCCCCC(=O)OCC(O)CO[P](O)(=O)OCC[N+](C)(C)C
7 Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)O