Biological Magnetic Resonance Data Bank

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

Chelidonic Acid

Chelidonic Acid synonyms


Graphical representations:


View large 3D structure

Molecular Formula: C7H4O6

Natural Isotopic Abundance Mass: 184.10306

Mono-Isotopic Molecular Masses:

  • C12N14: 184.000787848
  • C13N14: 191.024271714
  • C12N15: 184.000787848
  • C13N15: 191.024271714

InChI string: InChI=1S/C7H4O6/c8-3-1-4(6(9)10)13-5(2-3)7(11)12/h1-2H,(H,9,10)(H,11,12)

IUPAC: 4-oxopyran-2,6-dicarboxylic acid

BMRB Ligand Expo: HLD
PubChem Compound (CID): 7431

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,