Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : QMP    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C7H15O3P/c1-11(8,9)10-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,8,9)
2 InChIKey InChI 1.03 SWYGLBJVTQMYSE-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=P(O)(OC1CCCCC1)C
4 SMILES CACTVS 3.370 C[P](O)(=O)OC1CCCCC1
5 SMILES OpenEye OEToolkits 1.7.6 CP(=O)(O)OC1CCCCC1
6 Canonical SMILES CACTVS 3.370 C[P](O)(=O)OC1CCCCC1
7 Canonical SMILES OpenEye OEToolkits 1.7.6 CP(=O)(O)OC1CCCCC1