| Record Information |
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| Version | 1.0 |
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| Creation date | 2018-05-02 12:26:29 UTC |
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| Update date | 2018-05-04 14:23:26 UTC |
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| FoodComEx ID | PC001189 |
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| FoodDB Record | FDB027477 |
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| Chemical Information |
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| Name | Ethyl glucuronide |
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| Description | Ethyl glucuronide is a natural human metabolite of Ethanol generated in the liver by UDP glucuonyltransferase.
Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. [HMDB]. Ethyl glucuronide is a general biomarker for the consumption of alcohol. |
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| CAS Number | 17685-04-0 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| beta-D-Ethyl glucuronide | HMDB | | D-Ethyl glucuronide | HMDB | | Ethyl beta-D-glucopyranosiduronate | HMDB | | Ethyl beta-D-glucopyranosiduronic acid | HMDB | | Ethylglucuronide | HMDB |
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| Chemical Formula | C8H14O7 |
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| IUPAC name | (2S,3S,4S,5R,6R)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid |
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| InChI Identifier | InChI=1S/C8H14O7/c1-2-14-8-5(11)3(9)4(10)6(15-8)7(12)13/h3-6,8-11H,2H2,1H3,(H,12,13)/t3-,4-,5+,6-,8+/m0/s1 |
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| InChI Key | IWJBVMJWSPZNJH-UQGZVRACSA-N |
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| Isomeric SMILES | CCO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O |
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| Average Molecular Weight | 222.1926 |
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| Monoisotopic Molecular Weight | 222.073952802 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as o-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond. |
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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 | O-glucuronides |
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| Alternative Parents | |
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| Substituents | - O-glucuronide
- 1-o-glucuronide
- Hexose monosaccharide
- Glycosyl compound
- O-glycosyl compound
- Beta-hydroxy acid
- Hydroxy acid
- Pyran
- Monosaccharide
- Oxane
- Secondary alcohol
- Acetal
- Carboxylic acid derivative
- Carboxylic acid
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Monocarboxylic acid or derivatives
- 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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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Not Available | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | 1 to 2 mg |
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| Delivery Time | 2 weeks |
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| Storage Form | powder |
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| Storage Conditions | -18°C |
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| Stability | Not Available |
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| Purity | unknown |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Contact Name | Contact Institution | Contact Email |
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| Augustin Scalbert | International Agency for Research on Cancer (IARC), Biomarkers Group, 150 cours Albert Thomas, Lyon, FR, 69372 | scalberta@iarc.fr |
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| Commercial Vendors |
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| AKSci | AG1057 |
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| AKSci | KMA0120 |
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| Toronto Research Chemicals | E918425 |
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