Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : DGY    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m1/s1
2 InChIKey InChI 1.03 RBNPOMFGQQGHHO-UWTATZPHSA-N
3 SMILES ACDLabs 10.04 O=C(O)C(O)CO
4 SMILES CACTVS 3.341 OC[CH](O)C(O)=O
5 SMILES OpenEye OEToolkits 1.5.0 C(C(C(=O)O)O)O
6 Canonical SMILES CACTVS 3.341 OC[C@@H](O)C(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@H](C(=O)O)O)O