For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Glucuronic acid
SpectraBase Compound ID CXBv8CjlePO
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-AQKNRBDQSA-N
Mol Weight 194.14 g/mol
Molecular Formula C6H10O7
Exact Mass 194.042653 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3YclQGvIwYd
Name D-Glucuronate
Acquisition Mode SIMULTANEOUS
CAS Registry Number 528-16-5
ChEBI ID 4178
Comments 100 mM D-Glucuronate, Soldium salt - vendor: California Foundation for Biochemical research 3471; 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,3S,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid; (2S,3S,4S,5R)-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-AQKNRBDQSA-N
KEGG Compound ID C00191
KEGG Pathways PATH: map00040 Pentose and glucuronate interconversions PATH: map00053 Ascorbate and aldarate metabolism PATH: map00500 Starch and sucrose metabolism PATH: map00562 Inositol phosphate metabolism
PubChem Compound ID 94715
SMILES C1(C(C(OC(C1O)O)C(=O)O)O)O
Source File Reference bmse000140