BMRB

Biological Magnetic Resonance Data Bank


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

D-Galacturonic Acid

Graphical representations:

D_galacturonic_acid

View large 3D structure

Molecular Formula: C6H10O7

Natural Isotopic Abundance Mass: 194.1394000000

Mono-Isotopic Molecular Masses:

  • C12N14: 194.042652676
  • C13N14: 200.062781702
  • C12N15: 194.042652676
  • C13N15: 200.062781702

InChI string: InChI=1/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6-/m0/s1/f/h10H

IUPAC: (2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid

PubChem Compound (CID): 445929
KEGG Compound ID: C00333
CAS Registry number: 25990-10-7 37331-21-8 9046-38-2
ChEBI: 18024

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