Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : ZOL    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)
2 InChIKey InChI 1.03 XRASPMIURGNCCH-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O
4 SMILES CACTVS 3.341 OC(Cn1ccnc1)([P](O)(O)=O)[P](O)(O)=O
5 SMILES OpenEye OEToolkits 1.5.0 c1cn(cn1)CC(O)(P(=O)(O)O)P(=O)(O)O
6 Canonical SMILES CACTVS 3.341 OC(Cn1ccnc1)([P](O)(O)=O)[P](O)(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 c1cn(cn1)CC(O)(P(=O)(O)O)P(=O)(O)O