Chemical Components in the PDB

pdbe.org/chem
spacer

PDBeChem : Molecule Descriptors

 Molecule : NHY    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)
2 InChIKey InChI 1.03 VSNHCAURESNICA-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 O=C(N)NO
4 SMILES CACTVS 3.341 NC(=O)NO
5 SMILES OpenEye OEToolkits 1.5.0 C(=O)(N)NO
6 Canonical SMILES CACTVS 3.341 NC(=O)NO
7 Canonical SMILES OpenEye OEToolkits 1.5.0 C(=O)(N)NO