Showing Metabocard for hydroxymalonate (BASm0001036)
| Common Name | Hydroxymalonate |
|---|---|
| Description | 2-hydroxymalonate is a member of the chemical class known as Sugar Acids and Derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group. 2-hydroxymalonate is involved in d-glycerate biosynthesis. Further evidence for identification as tartronate semialdehyde reductase is the observation that the coding region for this protein is directly preceded by genes coding for hydroxypyruvate isomerase and glyoxylate carboligase, two enzymes that synthesize tartronate semialdehyde, producing an operon clearly designed for d-glycerate biosynthesis from tartronate semialdehyde. (PMID 10978349 ) |
| Structure | |
| Molecular Formula | C3H2O5 |
| Average Mass | 118.04500 |
| Monoisotopic Mass | 117.99022 |
| IUPAC Name | 2-hydroxypropanedioic acid |
| Traditional Name | Tartronic acid |
| CAS Registry Number | 80-69-3 |
| SMILES | O=C([O-])C(O)C(=O)[O-] |
| InChI Identifier | InChI=1S/C3H4O5/c4-1(2(5)6)3(7)8/h1,4H,(H,5,6)(H,7,8)/p-2 |
| InChI Key | ROBFUDYVXSDBQM-UHFFFAOYSA-L |
| CHEBI ID | CHEBI:17649 |
| MiMeDB ID | MMDBc0030120 |
| State | Solid |
| Water Solubility | 1.82e+02 g/l |
| logP | -1.01 |
| logS | 0.18 |
| pKa (Strongest Acidic) | 2.16 |
| pKa (Strongest Basic) | -4.86 |
| Hydrogen Acceptor Count | 5 |
| Hydrogen Donor Count | 3 |
| Polar Surface Area | 94.83 Ų |
| Rotatable Bond Count | 2 |
| Physiological Charge | -2 |
| Formal Charge | 0 |
| Refractivity | 20.33 m³·mol⁻¹ |
| Polarizability | 8.96 |