Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : QDK    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5-/m0/s1
2 InChIKey InChI 1.03 ZAQJHHRNXZUBTE-UCORVYFPSA-N
3 SMILES ACDLabs 12.01 O=C(CO)C(O)C(O)CO
4 SMILES CACTVS 3.370 OC[CH](O)[CH](O)C(=O)CO
5 SMILES OpenEye OEToolkits 1.7.0 C(C(C(C(=O)CO)O)O)O
6 Canonical SMILES CACTVS 3.370 OC[C@H](O)[C@H](O)C(=O)CO
7 Canonical SMILES OpenEye OEToolkits 1.7.0 C([C@@H]([C@@H](C(=O)CO)O)O)O