| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation date | 2015-10-09 22:33:18 UTC |
|---|
| Update date | 2017-01-19 02:36:40 UTC |
|---|
| FoodComEx ID | PC000904 |
|---|
| FoodDB Record | FDB022035 |
|---|
| Chemical Information |
|---|
| Name | 2,3-Dihydroxyvaleric acid |
|---|
| Description | 2,3-Dihydroxyvaleric acid is a metabolite that has been found present in the urine of a patient with 2-hydroxyglutaric aciduria (OMIM 600721), a rare genetic defect with no rapid routine method to detect. (PMID 9260660) [HMDB] |
|---|
| CAS Number | 26386-47-0 |
|---|
| Structure | |
|---|
| Synonyms | | Synonym | Source |
|---|
| 2,3-dihydroxy-Valerate | hmdb | | 2,3-dihydroxy-Valeric acid | hmdb | | 2,3-Dihydroxyvalerate | hmdb |
|
|---|
| Chemical Formula | C5H10O4 |
|---|
| IUPAC name | 2,3-dihydroxypentanoic acid |
|---|
| InChI Identifier | InChI=1S/C5H10O4/c1-2-3(6)4(7)5(8)9/h3-4,6-7H,2H2,1H3,(H,8,9) |
|---|
| InChI Key | CJXCLBPFKGZXJP-UHFFFAOYSA-N |
|---|
| Isomeric SMILES | CCC(O)C(O)C(O)=O |
|---|
| Average Molecular Weight | 134.1305 |
|---|
| Monoisotopic Molecular Weight | 134.057908808 |
|---|
| Chemical Taxonomy |
|---|
| Description | Belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Lipids and lipid-like molecules |
|---|
| Class | Fatty Acyls |
|---|
| Sub Class | Fatty acids and conjugates |
|---|
| Direct Parent | Hydroxy fatty acids |
|---|
| Alternative Parents | |
|---|
| Substituents | - Beta-hydroxy acid
- Branched fatty acid
- Hydroxy fatty acid
- Short-chain hydroxy acid
- Methyl-branched fatty acid
- Monosaccharide
- Hydroxy acid
- Alpha-hydroxy acid
- Secondary alcohol
- 1,2-diol
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organooxygen compound
- Carbonyl group
- Alcohol
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Aliphatic acyclic compound
|
|---|
| Molecular Framework | Aliphatic acyclic compounds |
|---|
| External Descriptors | |
|---|
| Physico-Chemical Properties - Experimental |
|---|
| Property | Value | Reference |
|---|
| Experimental logP | Not Available | |
|---|
| Experimental Water Solubility | Not Available | |
|---|
| Melting Point | Not Available | |
|---|
|
| Foods of Origin |
|---|
| Food | Content Range | Average | Reference |
|---|
| Food | | | Reference |
|---|
|
| Production Data |
|---|
| Production Method | commercial |
|---|
| Production Method Reference | Not Available |
|---|
| Production Method Reference File | Not Available |
|---|
| Quantity Available | Production upon request, up to 3 mg |
|---|
| Delivery Time | Not Available |
|---|
| Storage Form | solid |
|---|
| Storage Conditions | -80°C |
|---|
| Stability | Not Available |
|---|
| Purity | Not Available |
|---|
| Spectra |
|---|
| Spectral Data Upon Request | Not Available |
|---|
| Provider Information |
|---|
|
| Commercial Vendors |
|---|
| Not Available |
