| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:30:35 UTC |
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| Update date | 2017-01-19 02:36:22 UTC |
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| FoodComEx ID | PC000412 |
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| FoodDB Record | FDB022147 |
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| Chemical Information |
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| Name | Ethylmalonic acid |
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| Description | Ethylmalonic acid is identified in the urine of patients with short-chain acyl-coenzyme A dehydrogenase deficiency, which is a fatty acid metabolism disorder. [HMDB] |
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| CAS Number | 601-75-2 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 1,1-Propanedicarboxylate | hmdb | | 1,1-Propanedicarboxylic acid | hmdb | | 2-Ethylmalonate | Generator | | 2-Ethylmalonic acid | ChEBI | | a-Carboxybutyrate | hmdb | | a-Carboxybutyric acid | hmdb | | alpha-Carboxybutyrate | hmdb | | alpha-Carboxybutyric acid | hmdb | | ethyl-Malonic acid | hmdb | | Ethylmalonate | hmdb | | Ethylmalonic acid | hmdb | | α-carboxybutyrate | Generator | | α-carboxybutyric acid | Generator |
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| Chemical Formula | C5H8O4 |
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| IUPAC name | 2-ethylpropanedioic acid |
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| InChI Identifier | InChI=1S/C5H8O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3,(H,6,7)(H,8,9) |
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| InChI Key | UKFXDFUAPNAMPJ-UHFFFAOYSA-N |
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| Isomeric SMILES | CCC(C(O)=O)C(O)=O |
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| Average Molecular Weight | 132.1146 |
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| Monoisotopic Molecular Weight | 132.042258744 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as branched fatty acids. These are fatty acids containing a branched chain. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Fatty Acyls |
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| Sub Class | Fatty acids and conjugates |
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| Direct Parent | Branched fatty acids |
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| Alternative Parents | |
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| Substituents | - Branched fatty acid
- 1,3-dicarbonyl compound
- Dicarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic 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 | Production upon request, up to 2 g |
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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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| AKSci | M438 |
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| MetaSci | HMDB0000622 |
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| Sigma-Aldrich | HMDB0000622 |
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| Toronto Research Chemicals | E922020 |
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