1.0 2011-09-21 01:54:05 UTC 2015-07-21 06:59:41 UTC FDB029329 6-Keto-decanoylcarnitine A human metabolite taken as a putative food compound of mammalian origin [HMDB] C17H31NO5 329.4317 329.220223107 3-[(6-oxodecanoyl)oxy]-4-(trimethylazaniumyl)butanoate 3-[(6-oxodecanoyl)oxy]-4-(trimethylammonio)butanoate CCCCC(=O)CCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C InChI=1S/C17H31NO5/c1-5-6-9-14(19)10-7-8-11-17(22)23-15(12-16(20)21)13-18(2,3)4/h15H,5-13H2,1-4H3 DZALQUYFNHIYDL-UHFFFAOYSA-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. Acyl carnitines Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Aliphatic acyclic compounds Amines Carboxylic acid esters Carboxylic acid salts Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Ketones 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 Ketone Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organonitrogen compound Organooxygen compound Organopnictogen compound Quaternary ammonium salt Tetraalkylammonium salt Solid logp -1.21 ALOGPS logs -5.13 ALOGPS solubility 2.87e-03 g/l ALOGPS logp -1.8 ChemAxon pka_strongest_acidic 4.26 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac 3-[(6-oxodecanoyl)oxy]-4-(trimethylazaniumyl)butanoate ChemAxon average_mass 329.4317 ChemAxon mono_mass 329.220223107 ChemAxon smiles CCCCC(=O)CCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C ChemAxon formula C17H31NO5 ChemAxon inchi InChI=1S/C17H31NO5/c1-5-6-9-14(19)10-7-8-11-17(22)23-15(12-16(20)21)13-18(2,3)4/h15H,5-13H2,1-4H3 ChemAxon inchikey DZALQUYFNHIYDL-UHFFFAOYSA-N ChemAxon polar_surface_area 83.5 ChemAxon refractivity 110.11 ChemAxon polarizability 37.26 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 2347820 Specdb::MsMs 2347821 Specdb::MsMs 2347822 Specdb::CMs 174070 Specdb::NmrOneD 99158 Specdb::NmrOneD 99159 Specdb::NmrOneD 99160 Specdb::NmrOneD 99161 Specdb::NmrOneD 99162 Specdb::NmrOneD 99163 Specdb::NmrOneD 99164 Specdb::NmrOneD 99165 Specdb::NmrOneD 99166 Specdb::NmrOneD 99167 Specdb::NmrOneD 99168 Specdb::NmrOneD 99169 Specdb::NmrOneD 99170 Specdb::NmrOneD 99171 Specdb::NmrOneD 99172 Specdb::NmrOneD 99173 Specdb::NmrOneD 99174 Specdb::NmrOneD 99175 Specdb::NmrOneD 99176 Specdb::NmrOneD 99177 HMDB13202