Record Information |
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Version | 1.0 |
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Creation date | 2015-10-09 22:29:46 UTC |
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Update date | 2017-01-19 02:36:19 UTC |
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FoodComEx ID | PC000305 |
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FoodDB Record | FDB001479 |
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Chemical Information |
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Name | Oxalacetic acid |
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Description | Oxalacetic acid, also known as oxaloacetate or 2-oxosuccinate, belongs to the class of organic compounds known as short-chain keto acids and derivatives. These are keto acids with an alkyl chain the contains less than 6 carbon atoms. Oxalacetic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Oxalacetic acid exists in all living species, ranging from bacteria to humans. Within humans, oxalacetic acid participates in a number of enzymatic reactions. In particular, oxalacetic acid can be biosynthesized from D-aspartic acid through the action of the enzyme D-aspartate oxidase. In addition, oxalacetic acid can be biosynthesized from D-aspartic acid through the action of the enzyme D-aspartate oxidase. In humans, oxalacetic acid is involved in the metabolic disorder called the canavan disease pathway. Outside of the human body, Oxalacetic acid has been detected, but not quantified in, several different foods, such as chinese mustards, lowbush blueberries, brassicas, maitakes, and kombus. This could make oxalacetic acid a potential biomarker for the consumption of these foods. An oxodicarboxylic acid that is succinic acid bearing a single oxo group. |
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CAS Number | 328-42-7 |
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Structure | |
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Synonyms | Synonym | Source |
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2-Ketosuccinate | biospider | 2-Ketosuccinic acid | biospider | 2-Oxobutanedioate | biospider | 2-Oxobutanedioic acid | biospider | 2-Oxosuccinate | biospider | 2-Oxosuccinic acid | biospider | 3-Carboxy-3-oxopropanoate | Generator | 3-carboxy-3-oxopropanoic acid | biospider | A-ketosuccinate | biospider | A-ketosuccinic acid | biospider | Alpha-ketosuccinate | biospider | Alpha-ketosuccinic acid | biospider | Butanedioic acid, 2-oxo- | biospider | Butanedioic acid, oxo- | biospider | Butanedioic acid, oxo- (9CI) | biospider | Keto-oxaloacetate | biospider | keto-Succinate | Generator | Keto-succinic acid | biospider | Ketosuccinate | biospider | Ketosuccinic acid | biospider | OAA | biospider | Oxalacetate | biospider | Oxalacetic acetic | biospider | Oxalacetic acid (8CI) | biospider | Oxalacetic acid hybri-max(TM) | biospider | Oxalacetic acid,cis form | biospider | Oxalacetic_acid | biospider | Oxaloacetate | biospider | Oxaloacetic acid | biospider | Oxaloacetic acids | biospider | Oxaloethanoate | biospider | Oxaloethanoic acid | biospider | Oxobutanedioate | Generator | Oxobutanedioic acid | biospider | Oxosuccinate | biospider | Oxosuccinic acid | biospider |
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Chemical Formula | C4H4O5 |
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IUPAC name | 2-oxobutanedioic acid |
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InChI Identifier | InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9) |
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InChI Key | KHPXUQMNIQBQEV-UHFFFAOYSA-N |
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Isomeric SMILES | OC(=O)CC(=O)C(O)=O |
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Average Molecular Weight | 132.0716 |
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Monoisotopic Molecular Weight | 132.005873238 |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as short-chain keto acids and derivatives. These are keto acids with an alkyl chain the contains less than 6 carbon atoms. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Keto acids and derivatives |
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Sub Class | Short-chain keto acids and derivatives |
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Direct Parent | Short-chain keto acids and derivatives |
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Alternative Parents | |
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Substituents | - Beta-keto acid
- Short-chain keto acid
- Alpha-keto acid
- Beta-hydroxy ketone
- Dicarboxylic acid or derivatives
- 1,3-dicarbonyl compound
- Alpha-hydroxy ketone
- Ketone
- Carboxylic acid
- Carboxylic acid derivative
- Carbonyl group
- Organooxygen compound
- Organic oxide
- Organic oxygen compound
- Hydrocarbon derivative
- 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 | 161 oC | |
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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 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 | U724 |
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MetaSci | HMDB0000223 |
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Sigma-Aldrich | HMDB0000223 |
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Toronto Research Chemicals | O845030 |
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