Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 2UF    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4-,5-/m0/s1
2 InChIKey InChI 1.03 RGHNJXZEOKUKBD-QTBDOELSSA-N
3 SMILES ACDLabs 12.01 O=C(O)C(O)C(O)C(O)C(O)CO
4 SMILES CACTVS 3.385 OC[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O
5 SMILES OpenEye OEToolkits 1.9.2 C(C(C(C(C(C(=O)O)O)O)O)O)O
6 Canonical SMILES CACTVS 3.385 OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.9.2 C([C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)O