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CHEBI:27951 - (R)-3-hydroxy-2-oxo-4-phosphonooxybutanoic acid

Default Structure
ChEBI IDCHEBI:27951
ChEBI Name(R)-3-hydroxy-2-oxo-4-phosphonooxybutanoic acid
Stars
ASCII Name(R)-3-hydroxy-2-oxo-4-phosphonooxybutanoic acid
DefinitionA 2-oxo monocarboxylic acid that is 2-oxobutanoic acid which is substituted by a phosphonooxy group at position 4 and a hydroxy group at the 3-pro-R position.
Secondary ChEBI IDsCHEBI:1240, CHEBI:19731
Last Modified6 February 2018
DownloadsMolfile
FormulaC4H7O8P
Net Charge0
Average Mass214.066
Monoisotopic Mass213.98785
SMILESO=C(O)C(=O)[C@H](O)COP(=O)(O)O
InChIInChI=1S/C4H7O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2,5H,1H2,(H,7,8)(H2,9,10,11)/t2-/m1/s1
InChIKeyMZJFVXDTNBHTKZ-UWTATZPHSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
(R)-3-hydroxy-2-oxo-4-phosphonooxybutanoic acid (CHEBI:27951) has functional parent butyric acid (CHEBI:30772)
(R)-3-hydroxy-2-oxo-4-phosphonooxybutanoic acid (CHEBI:27951) has role Escherichia coli metabolite (CHEBI:76971)
(R)-3-hydroxy-2-oxo-4-phosphonooxybutanoic acid (CHEBI:27951) has role mouse metabolite (CHEBI:75771)
(R)-3-hydroxy-2-oxo-4-phosphonooxybutanoic acid (CHEBI:27951) is a 2-oxo monocarboxylic acid (CHEBI:35910)
(R)-3-hydroxy-2-oxo-4-phosphonooxybutanoic acid (CHEBI:27951) is a 3-hydroxy monocarboxylic acid (CHEBI:35969)
(R)-3-hydroxy-2-oxo-4-phosphonooxybutanoic acid (CHEBI:27951) is a carboxyalkyl phosphate (CHEBI:36952)
(R)-3-hydroxy-2-oxo-4-phosphonooxybutanoic acid (CHEBI:27951) is a hydroxyalkyl phosphate (CHEBI:36949)
(R)-3-hydroxy-2-oxo-4-phosphonooxybutanoic acid (CHEBI:27951) is a oxoalkyl phosphate (CHEBI:36948)
(R)-3-hydroxy-2-oxo-4-phosphonooxybutanoic acid (CHEBI:27951) is a secondary α-hydroxy ketone (CHEBI:2468)
(R)-3-hydroxy-2-oxo-4-phosphonooxybutanoic acid (CHEBI:27951) is conjugate acid of (R)-3-hydroxy-2-oxo-4-(phosphonatoooxy)butanoate (CHEBI:58538)
Incoming Relation(s)
(R)-3-hydroxy-2-oxo-4-(phosphonatoooxy)butanoate (CHEBI:58538) is conjugate base of (R)-3-hydroxy-2-oxo-4-phosphonooxybutanoic acid (CHEBI:27951)
IUPAC Name 
(3R)-3-hydroxy-2-oxo-4-(phosphonooxy)butanoic acid
Synonyms  Source
2-Oxo-3-hydroxy-4-phosphobutanoateKEGG COMPOUND
(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoateKEGG COMPOUND
alpha-Keto-3-hydroxy-4-phosphobutyrateKEGG COMPOUND
Manual XrefsDatabases
C06054KEGG COMPOUND