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 image

Molecular Formula: C6 H10 O7

Natural Isotopic Abundance Mass: 194.1394000000

Mono-Isotopic Molecular Masses:

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

InCHi String:

isomeric SMILES: [C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O

canonical SMILES: C1(C(C(OC(C1O)O)C(=O)O)O)O

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

IUPAC traditional: IUPAC cas: IUPAC openeye
(2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid

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

PubChem Substance (SID):   85165029   3885810   3627
PubChem Compound (CID):   445929
KEGG: Compound ID   C00333
CAS Registry IDs:   25990-10-7   37331-21-8   9046-38-2
PDB Chemical Component   ADA   GTR
Miscellaneous Databases and IDs:   CHEBI 18024

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.