| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:33:28 UTC |
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| Update date | 2017-01-19 02:36:41 UTC |
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| FoodComEx ID | PC000934 |
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| FoodDB Record | FDB022040 |
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| Chemical Information |
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| Name | 3-Hydroxyglutaric acid |
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| Description | 3-Hydroxyglutaric acid is a key metabolite in glutaryl co-enzyme A dehydrogenase deficiency, and is considered to be a potential neurotoxin. The urine level of 3-Hydroxyglutaric acid is elevated in Glutaric Aciduria Type I (glutaryl-CoA dehydrogenase deficiency) patients. (PMID 16573641) [HMDB] |
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| CAS Number | 638-18-6 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 3-hydroxy-glutarate | hmdb | | 3-hydroxy-glutaric acid | hmdb | | 3-Hydroxyglutarate | hmdb | | 3-Hydroxyglutaric acid | hmdb |
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| Chemical Formula | C5H8O5 |
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| IUPAC name | 3-hydroxypentanedioic acid |
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| InChI Identifier | InChI=1S/C5H8O5/c6-3(1-4(7)8)2-5(9)10/h3,6H,1-2H2,(H,7,8)(H,9,10) |
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| InChI Key | ZQHYXNSQOIDNTL-UHFFFAOYSA-N |
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| Isomeric SMILES | OC(CC(O)=O)CC(O)=O |
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| Average Molecular Weight | 148.114 |
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| Monoisotopic Molecular Weight | 148.037173366 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as beta hydroxy acids and derivatives. Beta hydroxy acids and derivatives are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Hydroxy acids and derivatives |
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| Sub Class | Beta hydroxy acids and derivatives |
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| Direct Parent | Beta hydroxy acids and derivatives |
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| Alternative Parents | |
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| Substituents | - Short-chain hydroxy acid
- Beta-hydroxy acid
- Fatty acid
- Dicarboxylic acid or derivatives
- Secondary alcohol
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Alcohol
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | Not Available |
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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 | Production upon request, up to 5 mg |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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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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| Commercial Vendors |
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| Cayman Chemical | 16334 |
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| Toronto Research Chemicals | H942580 |
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