1.0 2016-09-30 23:22:11 UTC 2020-04-22 15:17:29 UTC BMDB0006463 BMDB06463 Stearidonyl carnitine C25H41NO4 419.5973 419.303558805 3-[(4Z,8Z,12Z,15Z)-octadeca-4,8,12,15-tetraenoyloxy]-4-(trimethylazaniumyl)butanoate stearidonyl carnitine CC\C=C/C\C=C/CC\C=C/CC\C=C/CCC(=O)OC(CC([O-])=O)C[N+](C)(C)C InChI=1S/C25H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h6-7,9-10,13-14,17-18,23H,5,8,11-12,15-16,19-22H2,1-4H3/b7-6-,10-9-,14-13-,18-17- UQCYGYDOQKYSDD-IIWKRHCOSA-N belongs to the class of organic compounds known as acyl carnitines. These are organic compounds containing a fatty acid with the carboxylic acid attached to carnitine through an ester bond. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Acyl carnitines Amines Carbonyl compounds Carboxylic acid esters Carboxylic acid salts Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organic salts Organopnictogen compounds Tetraalkylammonium salts Acyl-carnitine Aliphatic acyclic compound Amine Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Carboxylic acid salt Dicarboxylic acid or derivatives Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organonitrogen compound Organooxygen compound Organopnictogen compound Quaternary ammonium salt Tetraalkylammonium salt Aliphatic acyclic compounds Solid logp 0.96 ALOGPS logs -7.32 ALOGPS logp 1.47 ChemAxon pka_strongest_acidic 4.17 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 3-[(4Z,8Z,12Z,15Z)-octadeca-4,8,12,15-tetraenoyloxy]-4-(trimethylazaniumyl)butanoate ChemAxon average_mass 419.5973 ChemAxon mono_mass 419.303558805 ChemAxon smiles CC\C=C/C\C=C/CC\C=C/CC\C=C/CCC(=O)OC(CC([O-])=O)C[N+](C)(C)C ChemAxon formula C25H41NO4 ChemAxon inchi InChI=1S/C25H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h6-7,9-10,13-14,17-18,23H,5,8,11-12,15-16,19-22H2,1-4H3/b7-6-,10-9-,14-13-,18-17- ChemAxon inchikey UQCYGYDOQKYSDD-IIWKRHCOSA-N ChemAxon polar_surface_area 66.43 ChemAxon refractivity 150.75 ChemAxon polarizability 48.08 ChemAxon rotatable_bond_count 18 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 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::MsMs 2270518 Specdb::MsMs 2270519 Specdb::MsMs 2270520 Specdb::CMs 150747 FDB023923 35015993 53477835 2614432