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L-Leucic acid (PC000372)

Record Information
Version1.0
Creation date2015-10-09 22:30:16 UTC
Update date2017-01-19 02:36:21 UTC
FoodComEx IDPC000372
FoodDB RecordFDB022218
Chemical Information
NameL-Leucic acid
DescriptionHydroxyisocaproic acid is derived from the metabolism of the branched-chain amino acids. It belongs to 2-hydroxycarboxylic acid group of amino acid metabolites (PMID 6434570). [HMDB]
CAS Number13748-90-8
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
(+)-2-Hydroxyisocaproatehmdb
(+)-2-Hydroxyisocaproic acidhmdb
(+)-a-Hydroxyisocaproatehmdb
(+)-a-Hydroxyisocaproic acidhmdb
(+)-alpha-Hydroxyisocaproatehmdb
(+)-alpha-Hydroxyisocaproic acidhmdb
(+)-α-hydroxyisocaproateGenerator
(+)-α-hydroxyisocaproic acidGenerator
(2S)-2-Hydroxy-4-methylpentanoatehmdb
(2S)-2-Hydroxy-4-methylpentanoic acidhmdb
(S)-2-Hydroxy-4-methyl-pentanoateHMDB
(S)-2-Hydroxy-4-methyl-pentanoic acidHMDB
(S)-2-Hydroxy-4-methylpentanoatehmdb
(S)-2-Hydroxy-4-methylpentanoic acidhmdb
(S)-2-Hydroxyisocaproatehmdb
(S)-2-Hydroxyisocaproic acidhmdb
(S)-Leucatehmdb
(S)-Leucic acidhmdb
2-HYDROXY-4-methyl-pentanoateGenerator
2-HYDROXY-4-methyl-pentanoIC ACIDChEBI
Hydroxyisocaproatehmdb
Hydroxyisocaproic acidhmdb
L-2-Hydroxy-4-methylvaleratehmdb
L-2-Hydroxy-4-methylvaleric acidhmdb
L-2-Hydroxyisocaproatehmdb
L-2-Hydroxyisocaproic acidhmdb
L-a-Hydroxyisocaproatehmdb
L-a-Hydroxyisocaproic acidhmdb
L-alpha-Hydroxyisocaproatehmdb
L-alpha-Hydroxyisocaproic acidhmdb
L-Leucatehmdb
L-Leucic acidhmdb
L-Leucinic acidmanual
L-α-hydroxyisocaproateGenerator
L-α-hydroxyisocaproic acidGenerator
S-2-Hydroxy-4-methylpentanoatehmdb
S-2-Hydroxy-4-methylpentanoic acidhmdb
Chemical FormulaC6H12O3
IUPAC name(2S)-2-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)/t5-/m0/s1
InChI KeyLVRFTAZAXQPQHI-YFKPBYRVSA-N
Isomeric SMILESCC(C)C[C@H](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
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
MetaSci HMDB0000746
Sigma-Aldrich HMDB0000746
Toronto Research Chemicals L330085