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| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:19:55 UTC |
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| Update Date | 2020-05-21 16:29:05 UTC |
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| BMDB ID | BMDB0000127 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | D-Glucuronic acid |
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| Description | D-Glucuronic acid, also known as glcaa or D-glucuronate, 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. D-Glucuronic acid exists as a solid, possibly soluble (in water), and an extremely weak basic (essentially neutral) compound (based on its pKa) molecule. D-Glucuronic acid exists in all living organisms, ranging from bacteria to humans. |
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| Structure | |
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| Synonyms | | Value | Source |
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| GlcAa | ChEBI | | GlcAalpha | ChEBI | | D-Glucuronate | Generator | | alpha-D-Glucopyranuronic acid | HMDB | | alpha-D-Glucuronic acid | HMDB | | D-(+)-Glucuronate | HMDB | | D-(+)-Glucuronic acid | HMDB | | GCU | HMDB | | Glucosiduronate | HMDB | | Glucosiduronic acid | HMDB | | Glucuronate | HMDB | | Glucuronic acid | HMDB | | D-Glucopyranuronic acid | HMDB | | alpha-D-Glucopyranosyluronic acid | HMDB | | α-D-Glucopyranosyluronic acid | HMDB | | α-D-Glucopyranuronic acid | HMDB |
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| Chemical Formula | C6H10O7 |
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| Average Molecular Weight | 194.1394 |
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| Monoisotopic Molecular Weight | 194.042652674 |
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| IUPAC Name | Not Available |
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| Traditional Name | Not Available |
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| CAS Registry Number | 6556-12-3 |
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| SMILES | Not Available |
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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-WAXACMCWSA-N |
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| Chemical Taxonomy |
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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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| Status | Detected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | - Cytoplasm
- Endoplasmic reticulum
- Lysosome
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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | 143 - 144 °C | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | 485 mg/mL | Not Available | | LogP | -2.57 | HANSCH,C ET AL. (1995) |
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| Predicted Properties | Not Available |
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| Spectra |
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| Spectra | |
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| Biological Properties |
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| Cellular Locations | - Cytoplasm
- Endoplasmic reticulum
- Lysosome
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| Biospecimen Locations | - Blood
- Kidney
- Liver
- Milk
- Placenta
- Ruminal Fluid
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| Pathways | |
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| Normal Concentrations |
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| Kidney | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | | Liver | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | | Liver | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | | Liver | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | | Milk | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | | Milk | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | | Placenta | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | | Ruminal Fluid | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details |
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| Abnormal Concentrations |
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| Blood | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Sub/clinical ketosis | | details |
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| External Links |
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| HMDB ID | HMDB0000127 |
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| DrugBank ID | Not Available |
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| Phenol Explorer Compound ID | Not Available |
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| FooDB ID | FDB021897 |
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| KNApSAcK ID | C00001123 |
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| Chemspider ID | 392615 |
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| KEGG Compound ID | C00191 |
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| BioCyc ID | Not Available |
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| BiGG ID | 34196 |
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| Wikipedia Link | Glucuronic acid |
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| METLIN ID | 161 |
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| PubChem Compound | 444791 |
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| PDB ID | Not Available |
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| ChEBI ID | 42717 |
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| References |
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| Synthesis Reference | Hamayasu, Kenichi; Tadokoro, Hiroki; Kishino, Eriko; Ito, Tetsuya; Fujita, Koki; Hara, Kozo. Preparation of glucuronic acid and/or glucuronolactone from sucrose. PCT Int. Appl. (2006), 21pp. |
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| Material Safety Data Sheet (MSDS) | Not Available |
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| General References | - Kurt J. Boudonck, Matthew W. Mitchell, Jacob Wulff and John A. Ryals (2009). Kurt J. Boudonck, Matthew W. Mitchell, Jacob Wulff and John A. Ryals. Characterization of the biochemical variability of bovine milk using metabolomics. Metabolomics (2009) 5:375?386. Metabolomics.
- Kurt J. Boudonck, Matthew W. Mitchell, Jacob Wulff and John A. Ryals (2009). Kurt J. Boudonck, Matthew W. Mitchell, Jacob Wulff, John A. Ryals. Characterization of the biochemical variability of bovine milk using metabolomics. Metabolomics (2009) 5:375-386 doi: 10.1007/s11306-009-0160-8. Metabolomics.
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