Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : EPO    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C4H4O5/c5-3(6)1-2(9-1)4(7)8/h1-2H,(H,5,6)(H,7,8)/t1-,2-/m1/s1
2 InChIKey InChI 1.03 DCEMCPAKSGRHCN-JCYAYHJZSA-N
3 SMILES ACDLabs 12.01 O=C(O)C1OC1C(=O)O
4 SMILES CACTVS 3.370 OC(=O)[CH]1O[CH]1C(O)=O
5 SMILES OpenEye OEToolkits 1.7.0 C1(C(O1)C(=O)O)C(=O)O
6 Canonical SMILES CACTVS 3.370 OC(=O)[C@@H]1O[C@H]1C(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.7.0 [C@@H]1(C(O1)C(=O)O)C(=O)O