Showing Metabocard for 3-(2,3-dihydroxyphenyl)propanoate (BASm0002192)
| Common Name | 3-(2,3-dihydroxyphenyl)propanoate |
|---|---|
| Description | 3-(2,3-dihydroxyphenyl)propionate is a member of the chemical class known as Catechols. These are compounds containing a 1,2-benzenediol moeity. 3-(2,3-dihydroxyphenyl)propionate is invovled in Phenylalanine metabolism, Microbial metabolism in diverse environments, and Phenylpropionic acid degradation. The compound 3-(2,3-dihydroxyphenyl)propionate (DHPP) is a common intermediate of both pathways which must be cleaved by the MhpB dioxygenase before entering into the primary cell metabolism. (PMID 19520845 ) |
| Structure | |
| Molecular Formula | C9H9O4 |
| Average Mass | 181.16540 |
| Monoisotopic Mass | 181.05008 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | O=C([O-])CCc1cccc(O)c1O |
| InChI Identifier | InChI=1S/C9H10O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-3,10,13H,4-5H2,(H,11,12)/p-1 |
| InChI Key | QZDSXQJWBGMRLU-UHFFFAOYSA-M |
| CHEBI ID | CHEBI:46951 |
| MiMeDB ID | MMDBc0029779 |
| State | Expected Solid |
| 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 |