Showing Metabocard for 2-hydroxy-3-oxopropanoate (BASm0003103)
| Common Name | 2-hydroxy-3-oxopropanoate |
|---|---|
| Description | Tartronate semialdehyde is an intermediate in ascorbate and aldarate as well as glyoxylate and dicarboxylate metabolism. It is generated from 2-dehydro-3-deoxy-D-glucarate and 5-dehydro-4-deoxy-D-glucarate via the enzyme 2-dehydro-3-deoxyglucarate aldolase [EC:4.1.2.20]. |
| Structure | |
| Molecular Formula | C3H4O4 |
| Average Mass | 104.06150 |
| Monoisotopic Mass | 104.01096 |
| IUPAC Name | 2-hydroxy-3-oxopropanoic acid |
| Traditional Name | 2-hydroxy-3-oxopropanoic acid |
| CAS Registry Number | Not Available |
| SMILES | O=CC(O)C(=O)[O-] |
| InChI Identifier | InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h1-2,5H,(H,6,7) |
| InChI Key | QWBAFPFNGRFSFB-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:57978 |
| HMDB ID | HMDB0006938 |
| State | Solid |
| Water Solubility | 3.27e+02 g/l |
| logP | -0.92 |
| logS | 0.50 |
| pKa (Strongest Acidic) | 3.04 |
| pKa (Strongest Basic) | -4.50 |
| Hydrogen Acceptor Count | 4 |
| Hydrogen Donor Count | 2 |
| Polar Surface Area | 74.6 Ų |
| Rotatable Bond Count | 2 |
| Physiological Charge | -1 |
| Formal Charge | 0 |
| Refractivity | 19.40 m³·mol⁻¹ |
| Polarizability | 8.10 |