Showing Metabocard for 3-phenylpyruvate (BASm0001157)
| Common Name | 3-phenylpyruvate |
|---|---|
| Description | 2-oxo-3-phenylpropanoate, also known as 3-phenylpyruvate or 3-(4-hydroxyphenyl)pyruvate, belongs to phenylpyruvic acid derivatives class of compounds. Those are compounds containing a phenylpyruvic acid moiety, which consists of a phenyl group substituted at the second position by an pyruvic acid. 2-oxo-3-phenylpropanoate is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 2-oxo-3-phenylpropanoate can be found in a number of food items such as saskatoon berry, deerberry, green zucchini, and breadnut tree seed, which makes 2-oxo-3-phenylpropanoate a potential biomarker for the consumption of these food products. |
| Structure | |
| Molecular Formula | C9H7O3 |
| Average Mass | 163.15010 |
| Monoisotopic Mass | 163.03952 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | O=C([O-])C(=O)Cc1ccccc1 |
| InChI Identifier | InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)/p-1 |
| InChI Key | BTNMPGBKDVTSJY-UHFFFAOYSA-M |
| CHEBI ID | CHEBI:18005 |
| HMDB ID | HMDB0304081 |
| 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 |