Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : ZEL    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5-,6+,7-/m1/s1
2 InChIKey InChI 1.03 HOVAGTYPODGVJG-BNWJMWRWSA-N
3 SMILES ACDLabs 12.01 OC1C(O)C(O)C(OC1OC)CO
4 SMILES CACTVS 3.370 CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
5 SMILES OpenEye OEToolkits 1.7.6 COC1C(C(C(C(O1)CO)O)O)O
6 Canonical SMILES CACTVS 3.370 CO[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O
7 Canonical SMILES OpenEye OEToolkits 1.7.6 CO[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O