Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : T6T    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5+,6+/m1/s1
2 InChIKey InChI 1.03 LKDRXBCSQODPBY-VANKVMQKSA-N
3 SMILES ACDLabs 12.01 OC1C(OCC(C1O)O)(CO)O
4 SMILES CACTVS 3.385 OC[C]1(O)OC[CH](O)[CH](O)[CH]1O
5 SMILES OpenEye OEToolkits 2.0.6 C1C(C(C(C(O1)(CO)O)O)O)O
6 Canonical SMILES CACTVS 3.385 OC[C@]1(O)OC[C@@H](O)[C@H](O)[C@@H]1O
7 Canonical SMILES OpenEye OEToolkits 2.0.6 C1[C@H]([C@@H]([C@@H]([C@@](O1)(CO)O)O)O)O