Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : DN    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C5H11O6P/c6-4-1-2-10-5(4)3-11-12(7,8)9/h4-6H,1-3H2,(H2,7,8,9)/t4-,5+/m0/s1
2 InChIKey InChI 1.03 BVOBPNSQIRMLCA-CRCLSJGQSA-N
3 SMILES ACDLabs 12.01 O=P(OCC1OCCC1O)(O)O
4 SMILES CACTVS 3.370 O[CH]1CCO[CH]1CO[P](O)(O)=O
5 SMILES OpenEye OEToolkits 1.7.0 C1COC(C1O)COP(=O)(O)O
6 Canonical SMILES CACTVS 3.370 O[C@H]1CCO[C@@H]1CO[P](O)(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.7.0 C1CO[C@@H]([C@H]1O)COP(=O)(O)O