Chemical Components in the PDB

pdbe.org/chem
spacer

PDBeChem : Molecule Descriptors

 Molecule : URE    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)
2 InChIKey InChI 1.03 XSQUKJJJFZCRTK-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 O=C(N)N
4 SMILES CACTVS 3.341 NC(N)=O
5 SMILES OpenEye OEToolkits 1.5.0 C(=O)(N)N
6 Canonical SMILES CACTVS 3.341 NC(N)=O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 C(=O)(N)N