Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB


Graphical representations:

Formamide image

View large 3D structure

Molecular Formula: C H3 N O

Natural Isotopic Abundance Mass: 45.0406200000

Mono-Isotopic Molecular Masses:

  • C12N14: 45.0214637236
  • C13N14: 46.0248185614
  • C12N15: 46.0184986168
  • C13N15: 47.0218534546

InChI String: InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)

canonical SMILES: C(=O)N

IUPAC: IUPAC traditional: IUPAC openeye: IUPAC cas

IUPAC systematic

PubChem Substance (SID):   85165073   149291   3771
PubChem Compound (CID):   713
KEGG: Compound ID   C00488
CAS Registry IDs:   23296-41-5   75-12-7
PDB Chemical Component   ARF
Miscellaneous Databases and IDs:   ChemIDplus 000075127   EINECS 200-842-0   CCRIS 6240   HSDB 88

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,