Showing Metabocard for (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoate (BASm0000235)
| Common Name | (2r)-2-hydroxy-3-(4-hydroxyphenyl)propanoate |
|---|---|
| Description | (r+)-3-(4-hydroxyphenyl)lactate, also known as (2r)-2-hydroxy-3-(4-hydroxyphenyl)propanoate or P-hydroxyphenyllactic acid, is a member of the class of compounds known as phenylpropanoic acids. Phenylpropanoic acids are compounds with a structure containing a benzene ring conjugated to a propanoic acid (r+)-3-(4-hydroxyphenyl)lactate is soluble (in water) and a weakly acidic compound (based on its pKa). (r+)-3-(4-hydroxyphenyl)lactate can be found in a number of food items such as muskmelon, coconut, lemon grass, and kohlrabi, which makes (r+)-3-(4-hydroxyphenyl)lactate a potential biomarker for the consumption of these food products. |
| Structure | |
| Molecular Formula | C9H9O4 |
| Average Mass | 181.16800 |
| Monoisotopic Mass | 181.05063 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | O=C([O-])[C@H](O)Cc1ccc(O)cc1 |
| InChI Identifier | InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)/p-1/t8-/m1/s1 |
| InChI Key | JVGVDSSUAVXRDY-MRVPVSSYSA-M |
| CHEBI ID | CHEBI:10980 |
| HMDB ID | HMDB0303993 |
| 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 |