Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 4XX    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C5H6O3/c1-3-5(7)4(6)2-8-3/h7H,2H2,1H3
2 InChIKey InChI 1.03 DLVYTANECMRFGX-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C1C(O)=C(OC1)C
4 SMILES CACTVS 3.370 CC1=C(O)C(=O)CO1
5 SMILES OpenEye OEToolkits 1.7.6 CC1=C(C(=O)CO1)O
6 Canonical SMILES CACTVS 3.370 CC1=C(O)C(=O)CO1
7 Canonical SMILES OpenEye OEToolkits 1.7.6 CC1=C(C(=O)CO1)O