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Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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Polygalacturonic Acid
Polygalacturonic_acid synonyms
D-Galacturonate; Calcium pectate; Calcium polygalacturonate; D-Galacturonan; Pectic acid; Sulfated polygalacturonic acid; Sodium pectate; D-Galacturonic acid; Pectate; Galacturonan
Graphical representations:
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): 445929KEGG 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)