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Record Information
Version	2.0
Creation Date	2015-09-08 17:48:39 -0600
Update Date	2016-09-13 16:35:33 -0600
Secondary Accession Numbers	ECMDB24038
Identification
Name:	2-Hydroxy-3-methylpentanoic acid
Description
Structure	MOLSDFPDBSMILESInChI × Structure for #<Compound:0xab6ae6bc> Close
Synonyms:	2-Hydroxy-3-methylpentanoate
Chemical Formula:
Weight:	Average: Not Available Monoisotopic: Not Available
InChI Key:	Not Available
InChI:	Not Available
CAS number:	Not Available
IUPAC Name:	(2R,3R)-2-hydroxy-3-methylpentanoic acid
Traditional IUPAC Name:	2-hydroxy-3-methyl-valerate
SMILES:	Not Available
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.
Kingdom	Organic compounds
Super Class	Lipids and lipid-like molecules
Class	Fatty Acyls
Sub Class	Fatty acids and conjugates
Direct Parent	Hydroxy fatty acids
Alternative Parents	Methyl-branched fatty acids Monosaccharides Alpha hydroxy acids and derivatives Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Substituents	Branched fatty acid Methyl-branched fatty acid Hydroxy fatty acid Alpha-hydroxy acid Hydroxy acid Monosaccharide Secondary alcohol Monocarboxylic acid or derivatives Carboxylic acid Carboxylic acid derivative Alcohol Hydrocarbon derivative Carbonyl group Organic oxide Organic oxygen compound Organooxygen compound Aliphatic acyclic compound
Molecular Framework	Aliphatic acyclic compounds
External Descriptors	Hydroxy fatty acids (LMFA01050380 )
Physical Properties
State:	Not Available
Charge:	-1
Melting point:	Not Available
Experimental Properties:	Property Value Source
Predicted Properties	Property Value Source Water Solubility 149 g/L ALOGPS logP 0.74 ALOGPS logP 0.86 ChemAxon logS 0.05 ALOGPS pKa (Strongest Acidic) 4.25 ChemAxon pKa (Strongest Basic) -3.9 ChemAxon Physiological Charge -1 ChemAxon Hydrogen Acceptor Count 3 ChemAxon Hydrogen Donor Count 2 ChemAxon Polar Surface Area 57.53 Ų ChemAxon Rotatable Bond Count 3 ChemAxon Refractivity 32.44 m³·mol⁻¹ ChemAxon Polarizability 13.77 ų ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule Yes ChemAxon MDDR-like Rule Yes ChemAxon
Biological Properties
Cellular Locations:	Cytoplasm
Reactions:
SMPDB Pathways:	Not Available
KEGG Pathways:	Not Available
EcoCyc Pathways:	Not Available
Concentrations
	Not Available
Spectra
Spectra:	Not Available
References
References:	Not Available
Synthesis Reference:	Not Available
Material Safety Data Sheet (MSDS)	Not Available
Links
External Links:	Resource Link CHEBI ID 89228 HMDB ID HMDB0000317 Pubchem Compound ID 10796774 Kegg ID Not Available ChemSpider ID 8972081 Wikipedia ID Not Available BioCyc ID Not Available