| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:28:53 UTC |
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| Update date | 2017-01-19 02:36:15 UTC |
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| FoodComEx ID | PC000153 |
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| FoodDB Record | FDB022269 |
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| Chemical Information |
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| Name | Ureidosuccinic acid |
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| Description | Ureidosuccinic acid, also known as carbamyl-L-aspartate or L-ureidosuccinate, belongs to the class of organic compounds known as aspartic acid and derivatives. Aspartic acid and derivatives are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Ureidosuccinic acid is an extremely weak basic (essentially neutral) compound (based on its pKa). Ureidosuccinic acid exists in all living species, ranging from bacteria to humans. ureidosuccinic acid can be biosynthesized from carbamoyl phosphate and L-aspartic acid; which is catalyzed by the enzyme cad protein. In humans, ureidosuccinic acid is involved in the metabolic disorder called the canavan disease pathway. Outside of the human body, Ureidosuccinic acid has been detected, but not quantified in, several different foods, such as chervils, agars, cabbages, swamp cabbages, and safflowers. This could make ureidosuccinic acid a potential biomarker for the consumption of these foods. The L-enantiomer N-carbamoylaspartic acid. |
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| CAS Number | 13184-27-5 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 2-Ureidobutanedioate | hmdb | | 2-Ureidobutanedioic acid | hmdb | | Carbamoylaspartic acid | hmdb | | Carbamyl-L-aspartate | Generator | | Carbamyl-l-aspartic acid | hmdb | | Carbamylaspartic acid | hmdb | | L-n-carbamoylaspartic acid | hmdb | | L-ureidosuccinate | hmdb | | L-ureidosuccinic acid | hmdb | | N-(Aminocarbonyl)-L-aspartate | Generator | | N-(aminocarbonyl)-l-aspartic acid | hmdb | | N-carbamoyl-l-aspartate | hmdb | | N-carbamoyl-l-aspartic acid | hmdb | | N-Carbamoyl-S-aspartate | Generator | | N-carbamoyl-s-aspartic acid | hmdb | | N-carbamoylaspartate | hmdb | | N-carbamoylaspartic acid | hmdb | | NCD | hmdb | | Ureidosuccinate | hmdb |
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| Chemical Formula | C5H8N2O5 |
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| IUPAC name | (2S)-2-(carbamoylamino)butanedioic acid |
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| InChI Identifier | InChI=1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12)/t2-/m0/s1 |
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| InChI Key | HLKXYZVTANABHZ-REOHCLBHSA-N |
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| Isomeric SMILES | NC(=O)N[C@@H](CC(O)=O)C(O)=O |
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| Average Molecular Weight | 176.1274 |
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| Monoisotopic Molecular Weight | 176.043321376 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as aspartic acid and derivatives. Aspartic acid and derivatives are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Carboxylic acids and derivatives |
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| Sub Class | Amino acids, peptides, and analogues |
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| Direct Parent | Aspartic acid and derivatives |
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| Alternative Parents | |
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| Substituents | - Aspartic acid or derivatives
- Dicarboxylic acid or derivatives
- Fatty acid
- Isourea
- Carboximidamide
- Carboxylic acid
- Carboximidic acid derivative
- Organic oxide
- Organic nitrogen compound
- Hydrocarbon derivative
- Carbonyl group
- Organooxygen compound
- Organonitrogen compound
- Imine
- Organopnictogen compound
- Organic oxygen compound
- 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 1 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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| Not Available |
