| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation date | 2015-10-09 22:29:58 UTC |
|---|
| Update date | 2017-01-19 02:36:20 UTC |
|---|
| FoodComEx ID | PC000329 |
|---|
| FoodDB Record | FDB021905 |
|---|
| Chemical Information |
|---|
| Name | Methylmalonic acid |
|---|
| Description | A malonic acid derivative which is a vital intermediate in the metabolism of fat and protein. Abnormalities in methylmalonic acid metabolism lead to methylmalonic aciduria. This metabolic disease is attributed to a block in the enzymatic conversion of methylmalonyl CoA to succinyl CoA. [HMDB] |
|---|
| CAS Number | 516-05-2 |
|---|
| Structure | |
|---|
| Synonyms | | Synonym | Source |
|---|
| 1,1-Ethanedicarboxylate | hmdb | | 1,1-Ethanedicarboxylic acid | hmdb | | 2-Methylmalonate | hmdb | | 2-Methylmalonic acid | hmdb | | a-Methylmalonate | Generator | | a-Methylmalonic acid | Generator | | alpha-Methylmalonate | Generator | | alpha-Methylmalonic acid | ChEBI | | Isosuccinate | hmdb | | Isosuccinic acid | hmdb | | methyl-Malonate | hmdb | | methyl-Malonic acid | hmdb | | methyl-Propanedioate | hmdb | | methyl-Propanedioic acid | hmdb | | Methylmalonate | hmdb | | Methylmalonic acid | hmdb | | Methylpropanedioate | hmdb | | Methylpropanedioic acid | hmdb | | α-methylmalonate | Generator | | α-methylmalonic acid | Generator |
|
|---|
| Chemical Formula | C4H6O4 |
|---|
| IUPAC name | 2-methylpropanedioic acid |
|---|
| InChI Identifier | InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8) |
|---|
| InChI Key | ZIYVHBGGAOATLY-UHFFFAOYSA-N |
|---|
| Isomeric SMILES | CC(C(O)=O)C(O)=O |
|---|
| Average Molecular Weight | 118.088 |
|---|
| Monoisotopic Molecular Weight | 118.02660868 |
|---|
| Chemical Taxonomy |
|---|
| Description | Belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Organic acids and derivatives |
|---|
| Class | Carboxylic acids and derivatives |
|---|
| Sub Class | Dicarboxylic acids and derivatives |
|---|
| Direct Parent | Dicarboxylic acids and derivatives |
|---|
| Alternative Parents | |
|---|
| Substituents | - 1,3-dicarbonyl compound
- Dicarboxylic acid or derivatives
- Carboxylic acid
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- 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 5 g |
|---|
| 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 |
|---|
| AKSci | F264 |
|---|
| Cayman Chemical | 14885 |
|---|
| MetaSci | HMDB0000202 |
|---|
| Sigma-Aldrich | HMDB0000202 |
|---|
| Toronto Research Chemicals | M318860 |
|---|
