Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Molecule Descriptors

 Molecule : ODF    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.06 InChI=1S/C4H4N2O3/c7-2-1-5-4(9)6-3(2)8/h1,7H,(H2,5,6,8,9)
2 InChIKey InChI 1.06 OFJNVANOCZHTMW-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 OC1=CNC(=O)NC1=O
4 SMILES OpenEye OEToolkits 2.0.7 C1=C(C(=O)NC(=O)N1)O
5 Canonical SMILES CACTVS 3.385 OC1=CNC(=O)NC1=O
6 Canonical SMILES OpenEye OEToolkits 2.0.7 C1=C(C(=O)NC(=O)N1)O