Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 02:04:39 UTC
Update Date2022-08-31 18:30:56 UTC
Metabolite IDMMDBc0032154
Metabolite Identification
Common Name3-hydroxy-2,4-pentanedione 5-phosphate
Description3-Hydroxy-2,4-pentanedione 5-phosphate is an intermediate in autoinducer AI-2 degradation pathway in E.coli. It is a substrate for the enzyme 3-hydroxy-2,4-pentadione 5-phosphate thiolase which catalyzes the reaction 3-hydroxy-5-phosphonooxypentane-2,4-dione + coenzyme A -> glycerone phosphate + acetyl-CoA. It is also a product for enzyme phospho-AI-2 isomerase which catalyzes reaction (4S)-4-hydroxy-5-phosphonooxypentane-2,3-dione -> 3-hydroxy-5-phosphonooxypentane-2,4-dione (BioCyc compound: CPD0-2467).
Structure
Synonyms
ValueSource
3-Hydroxy-2,4-pentanedione 5-phosphoric acidGenerator
Molecular FormulaC5H7O7P
Average Mass210.079
Monoisotopic Mass209.994036723
IUPAC Name3-hydroxy-1-(phosphonatooxy)pentane-2,4-dione
Traditional Name3-hydroxy-1-(phosphonatooxy)pentane-2,4-dione
CAS Registry NumberNot Available
SMILES
CC(=O)C(O)C(=O)COP([O-])([O-])=O
InChI Identifier
InChI=1S/C5H9O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h5,8H,2H2,1H3,(H2,9,10,11)/p-2
InChI KeyAKHNGSPNHAFBII-UHFFFAOYSA-L