Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : SPM    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
2 InChIKey InChI 1.03 PFNFFQXMRSDOHW-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 NCCCNCCCCNCCCN
4 SMILES CACTVS 3.341 NCCCNCCCCNCCCN
5 SMILES OpenEye OEToolkits 1.5.0 C(CCNCCCN)CNCCCN
6 Canonical SMILES CACTVS 3.341 NCCCNCCCCNCCCN
7 Canonical SMILES OpenEye OEToolkits 1.5.0 C(CCNCCCN)CNCCCN