Showing Metabocard for 3-(3,4-dihydroxyphenyl)pyruvate (BASm0001665)
| Common Name | 3-(3,4-dihydroxyphenyl)pyruvate |
|---|---|
| Description | 3,4-dihydroxyphenylpyruvate, also known as 3-(3,4-dihydroxyphenyl)-2-oxopropanoate, 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. 3,4-dihydroxyphenylpyruvate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). 3,4-dihydroxyphenylpyruvate can be found in a number of food items such as potato, skunk currant, dock, and towel gourd, which makes 3,4-dihydroxyphenylpyruvate a potential biomarker for the consumption of these food products. |
| Structure | |
| Molecular Formula | C9H7O5 |
| Average Mass | 195.15100 |
| Monoisotopic Mass | 195.02990 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | O=C([O-])C(=O)Cc1ccc(O)c(O)c1 |
| InChI Identifier | InChI=1S/C9H8O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,10-11H,4H2,(H,13,14)/p-1 |
| InChI Key | LQQFFJFGLSKYIR-UHFFFAOYSA-M |
| CHEBI ID | CHEBI:29055 |
| HMDB ID | HMDB0304103 |
| 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 |