Biological Magnetic Resonance Data Bank

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


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Molecular Formula: CH3NO

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)

IUPAC: formamide

PubChem Compound (CID): 713
KEGG Compound ID: C00488
ChemIDplus: 000075127
CAS Registry number: 23296-41-5 75-12-7
EINECS: 200-842-0
CCRIS: 6240
HSDB: 88
PDB Compound ID: ARF

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (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,