1.0 2011-09-21 01:54:45 UTC 2015-07-21 06:59:42 UTC FDB029370 Pristanoylglycine Pristanoylglycine is an acylglycine with Pristanoic acid 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] C21H41NO3 355.5551 355.308644183 2-(2,6,10,14-tetramethylpentadecanamido)acetic acid (2,6,10,14-tetramethylpentadecanamido)acetic acid CC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)NCC(O)=O InChI=1S/C21H41NO3/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)21(25)22-15-20(23)24/h16-19H,6-15H2,1-5H3,(H,22,25)(H,23,24) ILSMDNVBZYGMDG-UHFFFAOYSA-N belongs to the class of organic compounds known as acyclic diterpenoids. These are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle. Acyclic diterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aliphatic acyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives N-acyl amines N-acyl-alpha amino acids Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides Acyclic diterpenoid Aliphatic acyclic compound Alpha-amino acid or derivatives Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Fatty acyl Fatty amide Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl-alpha amino 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 Solid logp 6.08 ALOGPS logs -5.74 ALOGPS solubility 6.54e-04 g/l ALOGPS logp 6.11 ChemAxon pka_strongest_acidic 3.96 ChemAxon pka_strongest_basic -0.72 ChemAxon iupac 2-(2,6,10,14-tetramethylpentadecanamido)acetic acid ChemAxon average_mass 355.5551 ChemAxon mono_mass 355.308644183 ChemAxon smiles CC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)NCC(O)=O ChemAxon formula C21H41NO3 ChemAxon inchi InChI=1S/C21H41NO3/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)21(25)22-15-20(23)24/h16-19H,6-15H2,1-5H3,(H,22,25)(H,23,24) ChemAxon inchikey ILSMDNVBZYGMDG-UHFFFAOYSA-N ChemAxon polar_surface_area 66.4 ChemAxon refractivity 103.51 ChemAxon polarizability 44.14 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20307 Specdb::CMs 40109 Specdb::CMs 135117 Specdb::CMs 142851 Specdb::MsMs 311245 Specdb::MsMs 311246 Specdb::MsMs 311247 Specdb::MsMs 356170 Specdb::MsMs 356171 Specdb::MsMs 356172 Specdb::MsMs 2702823 Specdb::MsMs 2702824 Specdb::MsMs 2702825 Specdb::MsMs 3002443 Specdb::MsMs 3002444 Specdb::MsMs 3002445 HMDB13303