| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:29:59 UTC |
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| Update date | 2017-01-19 02:36:20 UTC |
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| FoodComEx ID | PC000334 |
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| FoodDB Record | FDB022156 |
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| Chemical Information |
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| Name | Succinylacetone |
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| Description | Succinylacetone is a tyrosine metabolite (PMID 16448836). It is a specific marker for Tyrosinemia type I. Type I tyrosinemia is an inherited metabolism disorder due to a shortage of the enzyme fumarylacetoacetate hydrolase that is needed to break down tyrosine. [HMDB] |
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| CAS Number | 51568-18-4 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 4,6-Dioxoheptanoate | hmdb | | 4,6-Dioxoheptanoic acid | hmdb | | 6-Dioxoheptanoate | Generator | | Succinylacetone | hmdb |
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| Chemical Formula | C7H10O4 |
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| IUPAC name | 4,6-dioxoheptanoic acid |
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| InChI Identifier | InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11) |
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| InChI Key | WYEPBHZLDUPIOD-UHFFFAOYSA-N |
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| Isomeric SMILES | CC(=O)CC(=O)CCC(O)=O |
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| Average Molecular Weight | 158.1519 |
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| Monoisotopic Molecular Weight | 158.057908808 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain. |
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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 | Medium-chain keto acids and derivatives |
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| Direct Parent | Medium-chain keto acids and derivatives |
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| Alternative Parents | |
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| Substituents | - Medium-chain keto acid
- Gamma-keto acid
- 1,3-diketone
- 1,3-dicarbonyl compound
- Ketone
- Monocarboxylic 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 | 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 20 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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| AKSci | 7197AB |
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| MetaSci | HMDB0000635 |
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| Sigma-Aldrich | HMDB0000635 |
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| Toronto Research Chemicals | S692060 |
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| Toronto Research Chemicals | S692063 |
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