Showing Metabocard for 2-methyl-3-oxopropanoate (BASm0002897)
| Common Name | 2-methyl-3-oxopropanoate |
|---|---|
| Description | (s)-methylmalonate-semialdehyde is a member of the class of compounds known as 1,3-dicarbonyl compounds. 1,3-dicarbonyl compounds are carbonyl compounds with the generic formula O=C(R)C(H)C(R')=O, where R and R' can be any group (s)-methylmalonate-semialdehyde is soluble (in water) and a weakly acidic compound (based on its pKa). (s)-methylmalonate-semialdehyde can be found in a number of food items such as oil-seed camellia, jostaberry, yellow pond-lily, and pasta, which makes (s)-methylmalonate-semialdehyde a potential biomarker for the consumption of these food products. |
| Structure | |
| Molecular Formula | C4H5O3 |
| Average Mass | 101.08200 |
| Monoisotopic Mass | 101.02442 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | CC(C=O)C(=O)[O-] |
| InChI Identifier | InChI=1S/C4H6O3/c1-3(2-5)4(6)7/h2-3H,1H3,(H,6,7)/p-1 |
| InChI Key | VOKUMXABRRXHAR-UHFFFAOYSA-M |
| CHEBI ID | CHEBI:57700 |
| HMDB ID | HMDB0304000 |
| State | Not Available |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | Not Available |
| Polarizability | Not Available |