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CHEBI:86371 - 3,4-dihydroxybutyric acid

ChEBI IDCHEBI:86371
ChEBI Name3,4-dihydroxybutyric acid
Stars
DefinitionA ω-hydroxy fatty acid that is butyric acid substituted by hydroxy groups at positions 3 and 4 respectively.
Last Modified24 January 2023
Submitternamrata
DownloadsMolfile
FormulaC4H8O4
Net Charge0
Average Mass120.104
Monoisotopic Mass120.04226
SMILESO=C(O)CC(O)CO
InChIInChI=1S/C4H8O4/c5-2-3(6)1-4(7)8/h3,5-6H,1-2H2,(H,7,8)
InChIKeyDZAIOXUZHHTJKN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1007/s11306-014-0642-1)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
3,4-dihydroxybutyric acid (CHEBI:86371) has functional parent butyric acid (CHEBI:30772)
3,4-dihydroxybutyric acid (CHEBI:86371) has role human metabolite (CHEBI:77746)
3,4-dihydroxybutyric acid (CHEBI:86371) is a 3-hydroxy fatty acid (CHEBI:59845)
3,4-dihydroxybutyric acid (CHEBI:86371) is a ω-hydroxy-short-chain fatty acid (CHEBI:194306)
IUPAC Name 
3,4-dihydroxybutanoic acid
Manual XrefsDatabases
HMDB0000337HMDB
LMFA01050461LIPID MAPS
Registry NumbersSources
Reaxys:1721709Reaxys
CAS:1518-61-2ChemIDplus