| Record Information |
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| Version | 1.0 |
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| Creation date | 2010-04-08 22:07:16 UTC |
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| Update date | 2019-11-26 03:01:16 UTC |
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| Primary ID | FDB006716 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | D-Glucuronic acid |
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| Description | D-glucuronic acid, also known as glucuronate or glucuronic acid, monopotassium salt, belongs to glucuronic acid derivatives class of compounds. Those are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid. D-glucuronic acid is soluble (in water) and a weakly acidic compound (based on its pKa). D-glucuronic acid can be found in a number of food items such as peach, dandelion, corn, and horseradish tree, which makes D-glucuronic acid a potential biomarker for the consumption of these food products. Glucuronic acid (from Ancient Greek γλυκύς "sweet" + οὖρον "urine") is a uronic acid that was first isolated from urine (hence the name). It is found in many gums such as gum arabic (c. 18%) and xanthan, and is important for the metabolism of microorganisms, plants and animals . |
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| CAS Number | 6556-12-3 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| D-Glucuronic acid | ChEBI | | Glucuronate | ChEBI | | Glucuronic acid | ChEBI | | D-Glucuronate | Generator | | D-Glucopyranuronic acid | Generator | | Glucuronate, monopotassium | MeSH | | Glucuronic acid, monosodium salt | MeSH | | Monopotassium glucuronate | MeSH | | Glucuronate, monosodium | MeSH | | Glucuronic acid, 6-(14)C-labeled, (D)-isomer | MeSH | | Glucuronic acid, monopotassium salt | MeSH | | Monosodium glucuronate | MeSH |
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| Predicted Properties | |
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| Chemical Formula | C6H10O7 |
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| IUPAC name | (2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid |
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| InChI Identifier | 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 |
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| InChI Key | AEMOLEFTQBMNLQ-AQKNRBDQSA-N |
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| Isomeric SMILES | [H]C1(O)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O |
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| Average Molecular Weight | 194.1394 |
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| Monoisotopic Molecular Weight | 194.042652674 |
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| Classification |
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| Description | Belongs to the class of organic compounds known as glucuronic acid derivatives. Glucuronic acid derivatives are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid. |
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| Kingdom | Organic compounds |
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| Super Class | Organic oxygen compounds |
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| Class | Organooxygen compounds |
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| Sub Class | Carbohydrates and carbohydrate conjugates |
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| Direct Parent | Glucuronic acid derivatives |
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| Alternative Parents | |
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| Substituents | - Glucuronic acid or derivatives
- Beta-hydroxy acid
- Hydroxy acid
- Pyran
- Monosaccharide
- Oxane
- Hemiacetal
- Secondary alcohol
- Carboxylic acid derivative
- Carboxylic acid
- Oxacycle
- Organoheterocyclic compound
- Monocarboxylic acid or derivatives
- Polyol
- Hydrocarbon derivative
- Organic oxide
- Carbonyl group
- Alcohol
- Aliphatic heteromonocyclic compound
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| Molecular Framework | Aliphatic heteromonocyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Ontology | No ontology term |
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| Physico-Chemical Properties |
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| Physico-Chemical Properties - Experimental | | Property | Value | Reference |
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| Physical state | Not Available | |
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| Physical Description | Not Available | |
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| Mass Composition | Not Available | |
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| Melting Point | Not Available | |
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| Boiling Point | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Experimental logP | Not Available | |
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| Experimental pKa | Not Available | |
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| Isoelectric point | Not Available | |
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| Charge | Not Available | |
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| Optical Rotation | Not Available | |
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| Spectroscopic UV Data | Not Available | |
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| Density | Not Available | |
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| Refractive Index | Not Available | |
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| Spectra |
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| Spectra | |
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| EI-MS/GC-MS | | Type | Description | Splash Key | View |
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| Predicted GC-MS | D-Glucuronic acid, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0a6s-5900000000-4d2f34d56893f9746201 | Spectrum |
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| MS/MS | | Type | Description | Splash Key | View |
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| Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004j-0900000000-580b96de2b78621ac645 | 2018-04-06 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-056s-1900000000-5b29218582cf3ee829fd | 2018-04-06 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4r-9400000000-2aa876e0cbcc0ef3bddf | 2018-04-06 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0007-0900000000-92dc7c30989ad23aad8e | 2018-04-06 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0035-3900000000-e4373fb21fa3e097e6d0 | 2018-04-06 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-052f-9100000000-e6d71cf037c988640102 | 2018-04-06 | View Spectrum |
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| NMR | Not Available |
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| External Links |
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| ChemSpider ID | Not Available |
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| ChEMBL ID | Not Available |
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| KEGG Compound ID | Not Available |
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| Pubchem Compound ID | Not Available |
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| Pubchem Substance ID | Not Available |
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| ChEBI ID | Not Available |
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| Phenol-Explorer ID | Not Available |
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| DrugBank ID | Not Available |
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| HMDB ID | Not Available |
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| CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
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| EAFUS ID | Not Available |
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| Dr. Duke ID | D-GLUCURONIC-ACID |
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| BIGG ID | Not Available |
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| KNApSAcK ID | Not Available |
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| HET ID | Not Available |
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| Food Biomarker Ontology | Not Available |
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| VMH ID | Not Available |
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| Flavornet ID | Not Available |
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| GoodScent ID | Not Available |
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| SuperScent ID | Not Available |
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| Wikipedia ID | Not Available |
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| Phenol-Explorer Metabolite ID | Not Available |
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| Duplicate IDS | Not Available |
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| Old DFC IDS | Not Available |
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| Associated Foods |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Biological Effects and Interactions |
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| Health Effects / Bioactivities | Not Available |
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| Enzymes | Not Available |
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| Pathways | Not Available |
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| Metabolism | Not Available |
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| Biosynthesis | Not Available |
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| Organoleptic Properties |
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| Flavours | Not Available |
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| Files |
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| MSDS | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| General Reference | Not Available |
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| Content Reference | — Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).
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