Chemical Components in the PDB

pdbe.org/chem
spacer

PDBeChem : Molecule Descriptors

 Molecule : TK8    

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-FLRLBIABSA-N
3 SMILES CACTVS 3.385 OC[CH](O)[CH](O)[CH](O)C(O)=O
4 SMILES OpenEye OEToolkits 2.0.7 C(C(C(C(C(=O)O)O)O)O)O
5 Canonical SMILES CACTVS 3.385 OC[C@@H](O)[C@H](O)[C@@H](O)C(O)=O
6 Canonical SMILES OpenEye OEToolkits 2.0.7 C([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O