EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:73967 - 2,2,4-trihydroxybutanoic acid

ChEBI IDCHEBI:73967
ChEBI Name2,2,4-trihydroxybutanoic acid
Stars
DefinitionA hydroxybutyric acid that is butyric acid substituted by hydroxy groups at positions 2, 2 and 4.
Last Modified25 September 2013
Submittermwilliams
DownloadsMolfile
FormulaC4H8O5
Net Charge0
Average Mass136.103
Monoisotopic Mass136.03717
SMILESO=C(O)C(O)(O)CCO
InChIInChI=1S/C4H8O5/c5-2-1-4(8,9)3(6)7/h5,8-9H,1-2H2,(H,6,7)
InChIKeyIASCKZVQSNCRPV-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
2,2,4-trihydroxybutanoic acid (CHEBI:73967) has functional parent butyric acid (CHEBI:30772)
2,2,4-trihydroxybutanoic acid (CHEBI:73967) has role metabolite (CHEBI:25212)
2,2,4-trihydroxybutanoic acid (CHEBI:73967) is a hydroxybutyric acid (CHEBI:24684)
2,2,4-trihydroxybutanoic acid (CHEBI:73967) is a triol (CHEBI:27136)
IUPAC Name 
2,2,4-trihydroxybutanoic acid
Synonym  Source
2,2,4-trihydroxybutyric acidChEBI