BMRB

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

chelidonic acid

Wikipedia:

Graphical representations:

Chelidonic acid image

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)

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   7431
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   BMRB Ligand Expo HLD

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, https://www.nature.com/articles/sdata201773