Showing Metabocard for 1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate (BASm0003590)
| Common Name | 1-(2-carboxyphenylamino)-1-deoxy-d-ribulose 5-phosphate |
|---|---|
| Description | 1-(O-Carboxyphenylamino)-1'-deoxyribulose 5'-phosphate belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. 1-(O-Carboxyphenylamino)-1'-deoxyribulose 5'-phosphate is soluble (in water) and a moderately acidic compound (based on its pKa). 1-(O-Carboxyphenylamino)-1'-deoxyribulose 5'-phosphate may be a unique E.coli metabolite. 1-(O-Carboxyphenylamino)-1'-deoxyribulose 5'-phosphate participates in a number of enzymatic reactions. In particular, 1-(O-Carboxyphenylamino)-1'-deoxyribulose 5'-phosphate can be biosynthesized from N-(5-phosphoribosyl)-anthranilate; which is catalyzed by the enzyme indole-3-glycerol phosphate synthase / phosphoribosylanthranilate isomerase. In addition, 1-(O-Carboxyphenylamino)-1'-deoxyribulose 5'-phosphate can be converted into (1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate; which is mediated by the enzyme indole-3-glycerol phosphate synthase / phosphoribosylanthranilate isomerase. |
| Structure | |
| Molecular Formula | C12H13NO9P |
| Average Mass | 346.20900 |
| Monoisotopic Mass | 346.03444 |
| IUPAC Name | 2-{[(3R,4R)-3,4-dihydroxy-2-oxo-5-(phosphonatooxy)pentyl]amino}benzoate |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | O=C([O-])c1ccccc1NCC(=O)[C@H](O)[C@H](O)COP(=O)([O-])[O-] |
| InChI Identifier | InChI=1S/C12H16NO9P/c14-9(11(16)10(15)6-22-23(19,20)21)5-13-8-4-2-1-3-7(8)12(17)18/h1-4,10-11,13,15-16H,5-6H2,(H,17,18)(H2,19,20,21)/p-3/t10-,11+/m1/s1 |
| InChI Key | QKMBYNRMPRKVTO-MNOVXSKESA-K |
| CHEBI ID | CHEBI:58613 |
| 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 |