Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 02J    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C5H5NO3/c1-3-2-4(5(7)8)6-9-3/h2H,1H3,(H,7,8)
2 InChIKey InChI 1.03 BNMPIJWVMVNSRD-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C(O)c1noc(c1)C
4 SMILES CACTVS 3.370 Cc1onc(c1)C(O)=O
5 SMILES OpenEye OEToolkits 1.7.2 Cc1cc(no1)C(=O)O
6 Canonical SMILES CACTVS 3.370 Cc1onc(c1)C(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.7.2 Cc1cc(no1)C(=O)O