Record Information
Version1.0
Creation date2015-10-09 22:33:39 UTC
Update date2017-01-19 02:36:43 UTC
FoodComEx IDPC000970
FoodDB RecordFDB023007
Chemical Information
Name4-Deoxythreonic acid
Description4-Deoxythreonic acid is a normally occurring carboxylic acid in human. (PMID: 3829393, 6725493) Metabolic profiling of urinary organic acids from patients with juvenile-onset (Type 1) diabetes mellitus have revealed significantly elevated levels of 4-deoxythreonic acid. (PMID: 2947647) The normal urinary constituent 4-deoxythreonic acid was found to diminish in urine incubated with E. coli. (PMID: 3910670) [HMDB]
CAS Number5057-93-2
Structure
Thumb
Synonyms
SynonymSource
(+/-)-erythro-2,3-dihydroxybutyratehmdb
(+/-)-erythro-2,3-dihydroxybutyric acidhmdb
(2R,3S)-rel-2,3-dihydroxy--Butanoatehmdb
(2R,3S)-rel-2,3-dihydroxy--Butanoic acidhmdb
(R*,S*)-2,3-dihydroxybutanoatehmdb
(R*,S*)-2,3-dihydroxybutanoic acidhmdb
2,3-threo-dihydroxybutyratehmdb
2,3-threo-dihydroxybutyric acidhmdb
4-deoxy-threonatehmdb
4-deoxy-threonic acidhmdb
4-deoxythreonatehmdb
erythro-2,3-dihydroxybutyratehmdb
erythro-2,3-dihydroxybutyric acidhmdb
Chemical FormulaC4H8O4
IUPAC name(2S,3R)-2,3-dihydroxybutanoic acid
InChI IdentifierInChI=1S/C4H8O4/c1-2(5)3(6)4(7)8/h2-3,5-6H,1H3,(H,7,8)/t2-,3+/m1/s1
InChI KeyLOUGYXZSURQALL-GBXIJSLDSA-N
Isomeric SMILESC[C@@H](O)[C@H](O)C(O)=O
Average Molecular Weight120.1039
Monoisotopic Molecular Weight120.042258744
Chemical Taxonomy
Description Belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentSugar acids and derivatives
Alternative Parents
Substituents
  • Beta-hydroxy acid
  • Short-chain hydroxy acid
  • Sugar acid
  • Monosaccharide
  • Hydroxy acid
  • Alpha-hydroxy acid
  • Fatty acid
  • Secondary alcohol
  • 1,2-diol
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Alcohol
  • Carbonyl group
  • Hydrocarbon derivative
  • Organic oxide
  • 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
Not Available