1.0 2011-09-21 01:54:38 UTC 2015-07-21 06:59:42 UTC FDB029361 N-Lauroylglycine N-Lauroylglycine is an acylglycine with C-12 fatty acid group as the acyl moiety. Acylglycines 1 possess a common amidoacetic acid moiety and are normally minor metabolites of fatty acids. Elevated levels of certain acylglycines appear in the urine and blood of patients with various fatty acid oxidation disorders. They are normally produced through the action of glycine N-acyltransferase which is an enzyme that catalyzes the chemical reaction: acyl-CoA + glycineMCoA + Nacylglycine [HMDB] acylglycine c:12 Lauroylglycine C14H27NO3 257.3691 257.199093735 2-dodecanamidoacetic acid dodecanamidoacetic acid CCCCCCCCCCCC(=O)NCC(O)=O InChI=1S/C14H27NO3/c1-2-3-4-5-6-7-8-9-10-11-13(16)15-12-14(17)18/h2-12H2,1H3,(H,15,16)(H,17,18) JWGGSJFIGIGFSQ-UHFFFAOYSA-N belongs to the class of organic compounds known as n-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. N-acyl-alpha amino acids Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic acyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives N-acyl amines Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides Aliphatic acyclic compound Carbonyl group Carboxamide group Carboxylic acid Fatty acyl Fatty amide Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl-alpha-amino acid N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary carboxylic acid amide N-acylglycine fatty amide Solid logp 4.00 ALOGPS logs -4.11 ALOGPS solubility 2.02e-02 g/l ALOGPS logp 3.37 ChemAxon pka_strongest_acidic 4.05 ChemAxon pka_strongest_basic -1.7 ChemAxon iupac 2-dodecanamidoacetic acid ChemAxon average_mass 257.3691 ChemAxon mono_mass 257.199093735 ChemAxon smiles CCCCCCCCCCCC(=O)NCC(O)=O ChemAxon formula C14H27NO3 ChemAxon inchi InChI=1S/C14H27NO3/c1-2-3-4-5-6-7-8-9-10-11-13(16)15-12-14(17)18/h2-12H2,1H3,(H,15,16)(H,17,18) ChemAxon inchikey JWGGSJFIGIGFSQ-UHFFFAOYSA-N ChemAxon polar_surface_area 66.4 ChemAxon refractivity 71.48 ChemAxon polarizability 31.3 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17852 Specdb::CMs 40100 Specdb::CMs 152940 Specdb::MsMs 305545 Specdb::MsMs 305546 Specdb::MsMs 305547 Specdb::MsMs 348979 Specdb::MsMs 348980 Specdb::MsMs 348981 Specdb::MsMs 2685963 Specdb::MsMs 2685964 Specdb::MsMs 2685965 Specdb::MsMs 2992193 Specdb::MsMs 2992194 Specdb::MsMs 2992195 HMDB13272 74441