1.0 2016-09-30 22:34:34 UTC 2020-04-22 15:04:41 UTC BMDB0000665 BMDB00665 Leucinic acid 2-Hydroxyisocaproic acid 2-Hydroxyisohexanoic acid alpha-Hydroxyisocaproic acid Leucic acid 2-Hydroxyisocaproate 2-Hydroxyisohexanoate a-Hydroxyisocaproate a-Hydroxyisocaproic acid alpha-Hydroxyisocaproate Α-hydroxyisocaproate Α-hydroxyisocaproic acid Leucate Leucinate alpha-Hydroxyisocaproic acid, (R)-isomer alpha-Hydroxyisocaproic acid, calcium (2:1) salt, (S)-isomer alpha-Hydroxyisocaproic acid, monosodium salt alpha-Hydroxyisocaproic acid, (S)-isomer 2-Hydroxy-4-methyl-valerate 2-Hydroxy-4-methyl-valeric acid 2-Hydroxy-4-methylpentanoate 2-Hydroxy-4-methylpentanoic acid 2-Hydroxy-4-methylvalerate 2-Hydroxy-4-methylvaleric acid a-Hydroxy-iso-caproate a-Hydroxy-iso-caproic acid alpha-Hydroxy-iso-caproate alpha-Hydroxy-iso-caproic acid DL-2-Hydroxy-4-methylpentanoate DL-2-Hydroxy-4-methylpentanoic acid DL-2-Hydroxyisocaproate DL-2-Hydroxyisocaproic acid DL-a-Hydroxyisocaproate DL-a-Hydroxyisocaproic acid DL-alpha-Hydroxyisocaproate DL-alpha-Hydroxyisocaproic acid DL-Leucate DL-Leucic acid Leucinic acid C6H12O3 132.1577 132.07864425 2-hydroxy-4-methylpentanoic acid leucate 498-36-2 CC(C)CC(O)C(O)=O InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9) LVRFTAZAXQPQHI-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Hydroxy fatty acids Alpha hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Methyl-branched fatty acids Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Alcohol Aliphatic acyclic compound Alpha-hydroxy acid Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Hydroxy acid Hydroxy fatty acid Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Aliphatic acyclic compounds 2-hydroxy fatty acid Hydroxy fatty acids branched-chain fatty acid Solid water_solubility 886 mg/mL logp 0.50 ALOGPS logs -0.03 ALOGPS logp 0.78 ChemAxon pka_strongest_acidic 4.26 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac 2-hydroxy-4-methylpentanoic acid ChemAxon average_mass 132.1577 ChemAxon mono_mass 132.07864425 ChemAxon smiles CC(C)CC(O)C(O)=O ChemAxon formula C6H12O3 ChemAxon inchi InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9) ChemAxon inchikey LVRFTAZAXQPQHI-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 32.51 ChemAxon polarizability 13.65 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrTwoD 1408 Specdb::CMs 2589 Specdb::CMs 37682 Specdb::CMs 130809 Specdb::CMs 138543 Specdb::CMs 1072268 Specdb::CMs 1072269 Specdb::CMs 1072271 Specdb::CMs 1072273 Specdb::CMs 1072275 Specdb::MsMs 909 Specdb::MsMs 910 Specdb::MsMs 911 Specdb::MsMs 4351 Specdb::MsMs 178485 Specdb::MsMs 178486 Specdb::MsMs 178487 Specdb::MsMs 180804 Specdb::MsMs 180805 Specdb::MsMs 180806 Specdb::MsMs 439233 Specdb::MsMs 2249086 Specdb::MsMs 2249283 Specdb::MsMs 2689157 Specdb::MsMs 2689158 Specdb::MsMs 2689159 Specdb::MsMs 2993792 Specdb::MsMs 2993793 Specdb::MsMs 2993794 Specdb::NmrOneD 1463 Specdb::NmrOneD 5103 Specdb::NmrOneD 5104 Specdb::NmrOneD 144790 Specdb::NmrOneD 144791 Specdb::NmrOneD 144792 Specdb::NmrOneD 144793 Specdb::NmrOneD 144794 Specdb::NmrOneD 144795 Specdb::NmrOneD 144796 Specdb::NmrOneD 144797 Specdb::NmrOneD 144798 Specdb::NmrOneD 144799 Specdb::NmrOneD 144800 Specdb::NmrOneD 144801 Specdb::NmrOneD 144802 Specdb::NmrOneD 144803 Specdb::NmrOneD 144804 Specdb::NmrOneD 144805 Specdb::NmrOneD 144806 Specdb::NmrOneD 144807 Specdb::NmrOneD 144808 Specdb::NmrOneD 144809 FDB022171 92779 83753 59783 5635 Camien, Merill N.; Fowler, Audree V.; Dunn, Max S. Production of a-hydroxy fatty acids by two strains of Lactobacillus casei. Archives of Biochemistry and Biophysics (1959), 83 408-18.