Showing Metabocard for (2S)-2-hydroxy-3-oxobutyl phosphate (BASm0003745)
| Common Name | (2s)-2-hydroxy-3-oxobutyl phosphate |
|---|---|
| Description | L-3,4-Dihydroxybutan-2-one 4-phosphate is an intermediate involved in riboflavin metabolism. It is a substrate for the enzyme 6,7-dimethyl-8-ribityllumazine synthase which atalyzes the formation of 6,7-dimethyl-8-ribityllumazine by condensation of 5-amino-6-(D-ribitylamino)uracil with 3,4-dihydroxy-2-butanone 4-phosphate. This is the penultimate step in the biosynthesis of riboflavin. |
| Structure | |
| Molecular Formula | C4H9O6P |
| Average Mass | 184.08440 |
| Monoisotopic Mass | 184.01367 |
| IUPAC Name | [(2S)-2-hydroxy-3-oxobutoxy]phosphonic acid |
| Traditional Name | (2s)-2-hydroxy-3-oxobutoxyphosphonic acid |
| CAS Registry Number | Not Available |
| SMILES | CC(=O)[C@@H](O)COP(=O)([O-])[O-] |
| InChI Identifier | InChI=1S/C4H9O6P/c1-3(5)4(6)2-10-11(7,8)9/h4,6H,2H2,1H3,(H2,7,8,9)/t4-/m0/s1 |
| InChI Key | OKYHYXLCTGGOLM-BYPYZUCNSA-N |
| CHEBI ID | CHEBI:58830 |
| State | Not Available |
| Water Solubility | 2.49e+01 g/l |
| logP | -1.62 |
| logS | -0.87 |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | 5 |
| Hydrogen Donor Count | 3 |
| Polar Surface Area | 104.06 Ų |
| Rotatable Bond Count | 4 |
| Physiological Charge | Not Available |
| Formal Charge | 0 |
| Refractivity | 34.81 m³·mol⁻¹ |
| Polarizability | 14.66 |