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Polygalacturonic acid
SpectraBase Compound ID 1bEZVY92Bge
InChI 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
InChIKey AEMOLEFTQBMNLQ-YMDCURPLSA-N
Mol Weight 194.14 g/mol
Molecular Formula C6H10O7
Exact Mass 194.042653 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3LrEiXe8aJh
Name Polygalacturonic acid
Acquisition Mode SIMULTANEOUSFILTERED
CAS Registry Number 25990-10-7 37331-21-8 9046-38-2
ChEBI ID 18024
Comments 100 mM Polygalacturonic acid - vendor: Eastman Kodak P4429; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz (Data collected by Madison Metabolomics Consortium)
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C6H10O7
IUPAC Name (2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid; (2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid; (2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydropyran-2-carboxylic acid
InChI 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
InChIKey AEMOLEFTQBMNLQ-YMDCURPLSA-N
KEGG Compound ID C00333
KEGG Pathways PATH: map00040 Pentose and glucuronate interconversions PATH: map00053 Ascorbate and aldarate metabolism PATH: map00500 Starch and sucrose metabolism PATH: map00520 Nucleotide sugars metabolism
PubChem Compound ID 445929
SMILES C1(C(C(OC(C1O)O)C(=O)O)O)O
Source File Reference bmse000228