β-D-Glucopyranuronic acid

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Systematic / IUPAC Name: (2S,3S,4S,5R,6R)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid

ID: Reference1214

Other Names: β-D-Glucuronic acid;
D-Glucuronic acid

Formula: C6H10O7

Class: Endogenous Metabolites

Spectral Data

β-D-Glucopyranuronic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 201
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 12/4/2014 3:24:28 PM
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Identificators

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
InChI Key AEMOLEFTQBMNLQ-QIUUJYRFSA-N
Canonical SMILES C1(C(C(OC(C1O)O)C(=O)O)O)O
CAS 6556123
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Other Names β-D-Glucuronic acid;
D-Glucuronic acid

In Other Databases

Wikipedia Glucuronic acid
ChemIDPlus 082694733
ChEBI CHEBI:28860
ChemSpider 390202
KEGG C08350
ChEMBL CHEMBL1159524
PubChem 441478