| Record Information |
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| Version | 4.0 |
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| Status | Detected but not Quantified |
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| Creation Date | 2017-03-23 04:42:32 UTC |
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| Update Date | 2018-05-20 09:59:32 UTC |
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| HMDB ID | HMDB0062620 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | L-threonic Acid |
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| Description | L-threonic Acid, also known as L-Threonate or Magnesium threonate, is classified as a sugar acid or a Sugar acid derivative. Sugar acids are compounds containing a saccharide unit which bears a carboxylic acid group. L-threonic Acid is considered to be soluble (in water) and acidic. L-threonic Acid can be found throughout numerous foods such as Capers, Muscadine grapes, Black huckleberries, and Pecan nuts |
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| Structure | |
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| Synonyms | | Value | Source |
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| (2R,3S)-2,3,4-Trihydroxybutanoic acid | Kegg | | (2R,3S)-2,3,4-Trihydroxybutanoate | Generator | | L-Threonic acid | Generator | | Calcium threonate | MeSH | | Threonic acid, (R-(r*,s*))-isomer | MeSH | | Threonic acid | MeSH | | Magnesium threonate | MeSH | | 2,3,4-Trihydroxy-(threo)-butanoic acid | MeSH | | Calcium L-threonate | MeSH | | Threonate | MeSH | | Threonic acid, (r*,r*)-isomer | MeSH |
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| Chemical Formula | C4H8O5 |
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| Average Molecular Weight | 136.1033 |
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| Monoisotopic Molecular Weight | 136.037173366 |
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| IUPAC Name | (2R,3S)-2,3,4-trihydroxybutanoic acid |
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| Traditional Name | threonate |
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| CAS Registry Number | 7306-96-9 |
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| SMILES | OC[C@H](O)[C@@H](O)C(O)=O |
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| InChI Identifier | InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3+/m0/s1 |
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| InChI Key | JPIJQSOTBSSVTP-STHAYSLISA-N |
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| Chemical Taxonomy |
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| Description | This compound belongs to the class of organic compounds known as sugar acids and derivatives. These 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
- Alpha-hydroxy acid
- Hydroxy acid
- Monosaccharide
- Fatty acid
- Secondary alcohol
- Polyol
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Alcohol
- Carbonyl group
- Primary alcohol
- 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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| Ontology |
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| Disposition | Biological location: |
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| Role | Industrial application: |
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| Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | 488 g/l | ALOGPS | | LogP | -2.11 | ALOGPS |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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| Disease References | | Colorectal cancer |
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- Sinha R, Ahn J, Sampson JN, Shi J, Yu G, Xiong X, Hayes RB, Goedert JJ: Fecal Microbiota, Fecal Metabolome, and Colorectal Cancer Interrelations. PLoS One. 2016 Mar 25;11(3):e0152126. doi: 10.1371/journal.pone.0152126. eCollection 2016. [PubMed:27015276 ]
- Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]
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