Record Information
Version1.0
Creation date2015-10-09 22:33:38 UTC
Update date2017-01-19 02:36:42 UTC
FoodComEx IDPC000962
FoodDB RecordFDB021980
Chemical Information
Name2,4-Dihydroxybutanoic acid
Description2,4-Dihydroxybutanoic acid or 3-Deoxytetronic acid is usually absent in normal human urine extracts or in only trace constituents in neonates. (PMID 1192581) However, various cases of succinic semialdehyde dehydrogenase deficiency have shown consistently increased amounts of this metabolite. (PMID 3126356) [HMDB]
CAS Number1518-62-3
Structure
Thumb
Synonyms
SynonymSource
2,4-dihydroxy-Butyratehmdb
2,4-dihydroxy-Butyric acidhmdb
2,4-Dihydroxybutanoatehmdb
2,4-Dihydroxybutanoic acidhmdb
2,4-Dihydroxybutyratehmdb
2,4-Dihydroxybutyric acidhmdb
3-Deoxytetronatehmdb
3-Deoxytetronic acidhmdb
Chemical FormulaC4H8O4
IUPAC name2,4-dihydroxybutanoic acid
InChI IdentifierInChI=1S/C4H8O4/c5-2-1-3(6)4(7)8/h3,5-6H,1-2H2,(H,7,8)
InChI KeyUFYGCFHQAXXBCF-UHFFFAOYSA-N
Isomeric SMILESOCCC(O)C(O)=O
Average Molecular Weight120.1039
Monoisotopic Molecular Weight120.042258744
Chemical Taxonomy
Description Belongs to the class of organic compounds known as short-chain hydroxy acids and derivatives. These are hydroxy acids with an alkyl chain the contains less than 6 carbon atoms.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassHydroxy acids and derivatives
Sub ClassShort-chain hydroxy acids and derivatives
Direct ParentShort-chain hydroxy acids and derivatives
Alternative Parents
Substituents
  • Short-chain hydroxy acid
  • Alpha-hydroxy acid
  • Monosaccharide
  • Fatty acid
  • Secondary alcohol
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organic oxide
  • Organic oxygen compound
  • Alcohol
  • Carbonyl group
  • Organooxygen compound
  • Primary alcohol
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 20 mg
Delivery TimeNot Available
Storage Formliquid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
Carbosynth HMDB0000360
MetaSci HMDB0000360