Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 0WK    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C6H13O8P/c7-3-1-13-4(6(9)5(3)8)2-14-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5+,6+/m0/s1
2 InChIKey InChI 1.03 KAJAXXUCVJFKFM-SLPGGIOYSA-N
3 SMILES ACDLabs 12.01 O=P(O)(O)OCC1OCC(O)C(O)C1O
4 SMILES CACTVS 3.370 O[CH]1CO[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
5 SMILES OpenEye OEToolkits 1.7.6 C1C(C(C(C(O1)COP(=O)(O)O)O)O)O
6 Canonical SMILES CACTVS 3.370 O[C@H]1CO[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O
7 Canonical SMILES OpenEye OEToolkits 1.7.6 C1[C@@H]([C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)O