Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : TLA    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1
2 InChIKey InChI 1.03 FEWJPZIEWOKRBE-JCYAYHJZSA-N
3 SMILES ACDLabs 10.04 O=C(O)C(O)C(O)C(=O)O
4 SMILES CACTVS 3.341 O[CH]([CH](O)C(O)=O)C(O)=O
5 SMILES OpenEye OEToolkits 1.5.0 C(C(C(=O)O)O)(C(=O)O)O
6 Canonical SMILES CACTVS 3.341 O[C@H]([C@@H](O)C(O)=O)C(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 [C@@H]([C@H](C(=O)O)O)(C(=O)O)O