| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:32:42 UTC |
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| Update date | 2017-01-19 02:36:36 UTC |
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| FoodComEx ID | PC000797 |
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| FoodDB Record | FDB023009 |
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| Chemical Information |
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| Name | alpha-Ketoglutaric acid oxime |
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| Description | Alpha-Ketoglutaric acid oxime is an organic acid being described in human urine in some cases of maple syrup urine disease. (PMID: 7438430, 699273) [HMDB] |
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| CAS Number | 2211-15-6 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 2-(hydroxyimino)- Pentanedioate | hmdb | | 2-(hydroxyimino)- Pentanedioic acid | hmdb | | 2-oxime-(8CI)-2-oxoglutarate | hmdb | | 2-oxime-(8CI)-2-oxoglutaric acid | hmdb | | a-Ketoglutaric acid oxime | hmdb | | Alpha-Ketoglutaric acid oxime | hmdb | | oxime-(6CI,7CI)-2-oxoglutarate | hmdb | | oxime-(6CI,7CI)-2-oxoglutaric acid | hmdb |
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| Chemical Formula | C5H7NO5 |
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| IUPAC name | 2-(hydroxyimino)pentanedioic acid |
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| InChI Identifier | InChI=1S/C5H7NO5/c7-4(8)2-1-3(6-11)5(9)10/h11H,1-2H2,(H,7,8)(H,9,10) |
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| InChI Key | RSXBEVMDACDZRB-UHFFFAOYSA-N |
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| Isomeric SMILES | ON=C(CCC(O)=O)C(O)=O |
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| Average Molecular Weight | 161.1128 |
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| Monoisotopic Molecular Weight | 161.032422339 |
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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 acid
- Dicarboxylic acid or derivatives
- Ketoxime
- Oxime
- Carboxylic acid
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Carbonyl group
- 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 10 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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| Not Available |
