| 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 |
