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CHEBI:85366 - 3-hydroxy-2,4-dioxopentyl phosphate

Default Structure
ChEBI IDCHEBI:85366
ChEBI Name3-hydroxy-2,4-dioxopentyl phosphate
Stars
DefinitionA phosphate monoester that is 1,3-dihydroxypentane-2,4-dione carrying a phospho at position 1.
Last Modified6 February 2018
SubmitterSteve
DownloadsMolfile
FormulaC5H9O7P
Net Charge0
Average Mass212.094
Monoisotopic Mass212.00859
SMILESCC(=O)C(O)C(=O)COP(=O)(O)O
InChIInChI=1S/C5H9O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h5,8H,2H2,1H3,(H2,9,10,11)
InChIKeyAKHNGSPNHAFBII-UHFFFAOYSA-N
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
3-hydroxy-2,4-dioxopentyl phosphate (CHEBI:85366) has role bacterial metabolite (CHEBI:76969)
3-hydroxy-2,4-dioxopentyl phosphate (CHEBI:85366) is a methyl ketone (CHEBI:51867)
3-hydroxy-2,4-dioxopentyl phosphate (CHEBI:85366) is a phosphate monoester (CHEBI:7794)
3-hydroxy-2,4-dioxopentyl phosphate (CHEBI:85366) is a secondary alcohol (CHEBI:35681)
3-hydroxy-2,4-dioxopentyl phosphate (CHEBI:85366) is a secondary α-hydroxy ketone (CHEBI:2468)
3-hydroxy-2,4-dioxopentyl phosphate (CHEBI:85366) is a β-diketone (CHEBI:67265)
3-hydroxy-2,4-dioxopentyl phosphate (CHEBI:85366) is conjugate acid of 3-hydroxy-2,4-dioxopentyl phosphate(2−) (CHEBI:84359)
Incoming Relation(s)
3-hydroxy-2,4-dioxopentyl phosphate(2−) (CHEBI:84359) is conjugate base of 3-hydroxy-2,4-dioxopentyl phosphate (CHEBI:85366)
IUPAC Name 
3-hydroxy-2,4-dioxopentyl dihydrogen phosphate
Manual XrefsDatabases
CPD0-2467MetaCyc
Registry NumbersSources
Reaxys:22344263Reaxys
Citations