| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:27:13 UTC |
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| Update date | 2017-01-19 02:36:09 UTC |
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| FoodComEx ID | PC000003 |
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| FoodDB Record | FDB022146 |
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| Chemical Information |
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| Name | Glutaconic acid |
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| Description | Glutaconic acid, also known as (e)-glutaconate or pentenedioate, belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. Glutaconic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Glutaconic acid exists in all living organisms, ranging from bacteria to humans. Glutaconic acid is a potentially toxic compound. Glutaconic acid, with regard to humans, has been linked to the inborn metabolic disorder glutaric aciduria I. The (E)-isomer of glutaconic acid. |
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| CAS Number | 1724-02-3 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| (E)-2-Pentenedioate | hmdb | | (E)-2-Pentenedioic acid | hmdb | | (E)-Glutaconate | hmdb | | (E)-Glutaconic acid | hmdb | | 1-Propene-1,3-dicarboxylate | hmdb | | 1-Propene-1,3-dicarboxylic acid | hmdb | | 1,3-Propenedicarboxylate | hmdb | | 1,3-Propenedicarboxylic acid | hmdb | | Glutaconate | Generator | | Glutaconic acid | hmdb | | Pentenedioate | hmdb | | Pentenedioic acid | hmdb | | trans-Glutaconate | hmdb | | trans-Glutaconic acid | hmdb |
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| Chemical Formula | C5H6O4 |
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| IUPAC name | (2E)-pent-2-enedioic acid |
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| InChI Identifier | InChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1+ |
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| InChI Key | XVOUMQNXTGKGMA-OWOJBTEDSA-N |
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| Isomeric SMILES | OC(=O)C\C=C\C(O)=O |
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| Average Molecular Weight | 130.0987 |
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| Monoisotopic Molecular Weight | 130.02660868 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. |
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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 | Dicarboxylic acids and derivatives |
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| Direct Parent | Dicarboxylic acids and derivatives |
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| Alternative Parents | |
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| Substituents | - Fatty acyl
- Fatty acid
- Unsaturated fatty acid
- Dicarboxylic acid or derivatives
- Carboxylic acid
- 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 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 |
