Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : D8T    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3-,4+/m1/s1
2 InChIKey InChI 1.03 QXKAIJAYHKCRRA-JJYYJPOSSA-N
3 SMILES ACDLabs 12.01 O=C(O)C(O)C(O)C(O)CO
4 SMILES CACTVS 3.370 OC[CH](O)[CH](O)[CH](O)C(O)=O
5 SMILES OpenEye OEToolkits 1.7.2 C(C(C(C(C(=O)O)O)O)O)O
6 Canonical SMILES CACTVS 3.370 OC[C@@H](O)[C@@H](O)[C@H](O)C(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.7.2 C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O