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CHEBI:29484 - (S)-4,5-dihydroxypentane-2,3-dione

ChEBI IDCHEBI:29484
ChEBI Name(S)-4,5-dihydroxypentane-2,3-dione
Stars
ASCII Name(S)-4,5-dihydroxypentane-2,3-dione
DefinitionPentane substituted at the 2- and 3-positions by oxo groups, at the 4- and 5-positions by hydroxy groups and with S stereoconfiguration at C-4.
Last Modified6 February 2018
DownloadsMolfile
FormulaC5H8O4
Net Charge0
Average Mass132.115
Monoisotopic Mass132.04226
SMILESCC(=O)C(=O)[C@@H](O)CO
InChIInChI=1S/C5H8O4/c1-3(7)5(9)4(8)2-6/h4,6,8H,2H2,1H3/t4-/m0/s1
InChIKeyUYTRITJAZOPLCZ-BYPYZUCNSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
(S)-4,5-dihydroxypentane-2,3-dione (CHEBI:29484) has role Escherichia coli metabolite (CHEBI:76971)
(S)-4,5-dihydroxypentane-2,3-dione (CHEBI:29484) is a secondary α-hydroxy ketone (CHEBI:2468)
(S)-4,5-dihydroxypentane-2,3-dione (CHEBI:29484) is a α-diketone (CHEBI:51869)
IUPAC Name 
(4S)-4,5-dihydroxypentane-2,3-dione
UniProt Name  Source
(S)-4,5-dihydroxypentane-2,3-dioneUniProt
Manual XrefsDatabases
C11838KEGG COMPOUND