Back to Compounds

DL-Leucic acid (PC000472)

Record Information
Version1.0
Creation date2015-10-09 22:30:51 UTC
Update date2017-01-19 02:36:25 UTC
FoodComEx IDPC000472
FoodDB RecordFDB022171
Chemical Information
NameDL-Leucic acid
DescriptionLeucinic acid has been isolated from amniotic fluid (PMID: 6467607), and have been found in a patient with dihydrolipoyl dehydrogenase deficiency (PMID 6688766). Leucinic acid is a bacterial metabolite present in the urine of patients with short bowel syndrome. (PMID 4018104) [HMDB]
CAS Number498-36-2
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
2-Hydroxy-4-methyl-valerateHMDB
2-Hydroxy-4-methyl-valeric acidHMDB
2-Hydroxy-4-methylpentanoatehmdb
2-Hydroxy-4-methylpentanoic acidhmdb
2-Hydroxy-4-methylvaleratehmdb
2-Hydroxy-4-methylvaleric acidhmdb
2-Hydroxyisocaproatehmdb
2-Hydroxyisocaproic acidhmdb
2-Hydroxyisohexanoatehmdb
2-Hydroxyisohexanoic acidhmdb
a-Hydroxy-iso-caproateHMDB
a-Hydroxy-iso-caproic acidHMDB
a-Hydroxyisocaproatehmdb
a-Hydroxyisocaproic acidhmdb
alpha-Hydroxy-iso-caproateHMDB
alpha-Hydroxy-iso-caproic acidHMDB
alpha-Hydroxyisocaproatehmdb
alpha-Hydroxyisocaproic acidhmdb
DL-2-Hydroxy-4-methylpentanoatehmdb
DL-2-Hydroxy-4-methylpentanoic acidhmdb
DL-2-Hydroxyisocaproatehmdb
DL-2-Hydroxyisocaproic acidhmdb
DL-a-Hydroxyisocaproatehmdb
DL-a-Hydroxyisocaproic acidhmdb
DL-alpha-Hydroxyisocaproatehmdb
DL-alpha-Hydroxyisocaproic acidhmdb
DL-Leucatehmdb
DL-Leucic acidhmdb
Leucatehmdb
Leucic acidhmdb
Leucinatehmdb
Leucinic acidhmdb
Chemical FormulaC6H12O3
IUPAC name2-hydroxy-4-methylpentanoic acid
InChI IdentifierInChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)
InChI KeyLVRFTAZAXQPQHI-UHFFFAOYSA-N
Isomeric SMILESCC(C)CC(O)C(O)=O
Average Molecular Weight132.1577
Monoisotopic Molecular Weight132.07864425
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acids and conjugates
Direct ParentHydroxy fatty acids
Alternative Parents
Substituents
  • Branched fatty acid
  • Hydroxy fatty acid
  • Methyl-branched fatty acid
  • Alpha-hydroxy acid
  • Hydroxy acid
  • Secondary alcohol
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organooxygen compound
  • Carbonyl group
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • 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 200 mg
Delivery TimeNot Available
Storage Formsolid
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
AKSci C466
Toronto Research Chemicals L330080