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:


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Molecular Formula: C5H7NO3

Natural Isotopic Abundance Mass: 129.11398

Mono-Isotopic Molecular Masses:

  • C12N14: 129.0425930962
  • C13N14: 134.0593672852
  • C12N15: 130.0396279894
  • C13N15: 135.0564021784

InChI string: InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m1/s1

PubChem Compound (CID): 439685
CAS Registry number: 4042-36-8
Sigma-Aldrich: 422614_ALDRICH
ChEBI: CHEBI:16924
ChemSpider: 388752
KEGG Compound ID: C02237
MMCD: cq_01415
MDL: MFCD00066212

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,