Polygalacturonic Acid

Polygalacturonic Acid bmse000228 - Data bmst000333 - Theory

Polygalacturonic_acid synonyms

D-Galacturonate; Calcium pectate; Calcium polygalacturonate; D-Galacturonan; Pectic acid; Sulfated polygalacturonic acid; Sodium pectate; D-Galacturonic acid; Pectate; Galacturonan

Wikipedia:

Graphical representations:

polygalacturonic_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=1S/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

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
PDB Compound ID: ADA

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)