| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:33:39 UTC |
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| Update date | 2017-01-19 02:36:43 UTC |
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| FoodComEx ID | PC000970 |
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| FoodDB Record | FDB023007 |
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| Chemical Information |
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| Name | 4-Deoxythreonic acid |
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| Description | 4-Deoxythreonic acid is a normally occurring carboxylic acid in human. (PMID: 3829393, 6725493)
Metabolic profiling of urinary organic acids from patients with juvenile-onset (Type 1) diabetes mellitus have revealed significantly elevated levels of 4-deoxythreonic acid. (PMID: 2947647)
The normal urinary constituent 4-deoxythreonic acid was found to diminish in urine incubated with E. coli. (PMID: 3910670) [HMDB] |
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| CAS Number | 5057-93-2 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| (+/-)-erythro-2,3-dihydroxybutyrate | hmdb | | (+/-)-erythro-2,3-dihydroxybutyric acid | hmdb | | (2R,3S)-rel-2,3-dihydroxy--Butanoate | hmdb | | (2R,3S)-rel-2,3-dihydroxy--Butanoic acid | hmdb | | (R*,S*)-2,3-dihydroxybutanoate | hmdb | | (R*,S*)-2,3-dihydroxybutanoic acid | hmdb | | 2,3-threo-dihydroxybutyrate | hmdb | | 2,3-threo-dihydroxybutyric acid | hmdb | | 4-deoxy-threonate | hmdb | | 4-deoxy-threonic acid | hmdb | | 4-deoxythreonate | hmdb | | erythro-2,3-dihydroxybutyrate | hmdb | | erythro-2,3-dihydroxybutyric acid | hmdb |
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| Chemical Formula | C4H8O4 |
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| IUPAC name | (2S,3R)-2,3-dihydroxybutanoic acid |
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| InChI Identifier | InChI=1S/C4H8O4/c1-2(5)3(6)4(7)8/h2-3,5-6H,1H3,(H,7,8)/t2-,3+/m1/s1 |
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| InChI Key | LOUGYXZSURQALL-GBXIJSLDSA-N |
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| Isomeric SMILES | C[C@@H](O)[C@H](O)C(O)=O |
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| Average Molecular Weight | 120.1039 |
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| Monoisotopic Molecular Weight | 120.042258744 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group. |
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| Kingdom | Organic compounds |
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| Super Class | Organic oxygen compounds |
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| Class | Organooxygen compounds |
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| Sub Class | Carbohydrates and carbohydrate conjugates |
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| Direct Parent | Sugar acids and derivatives |
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| Alternative Parents | |
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| Substituents | - Beta-hydroxy acid
- Short-chain hydroxy acid
- Sugar acid
- Monosaccharide
- Hydroxy acid
- Alpha-hydroxy acid
- Fatty acid
- Secondary alcohol
- 1,2-diol
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Alcohol
- Carbonyl group
- Hydrocarbon derivative
- Organic oxide
- 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 20 mg |
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| Delivery Time | Not Available |
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| Storage Form | liquid |
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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 |
