1.0 2020-03-03 18:18:57 UTC 2020-04-22 15:54:50 UTC BMDB0063742 BMDB63742 3-Hydroxy-5,8-tetradecadienoylcarnitine (3R)-3-{[(3R,8Z)-3-hydroxytetradeca-5,8-dienoyl]oxy}-4-(trimethylazaniumyl)butanoic acid (5Z,8Z)-3-Hydroxytetradecadienoylcarnitine 3-Hydroxytetradecadienoylcarnitine 3-Hydroxy-5,8-tetradecadienoylcarnitine C21H37NO5 383.529 383.267173295 (3R)-3-{[(3R,5Z,8Z)-3-hydroxytetradeca-5,8-dienoyl]oxy}-4-(trimethylazaniumyl)butanoate (3R)-3-{[(3R,5Z,8Z)-3-hydroxytetradeca-5,8-dienoyl]oxy}-4-(trimethylammonio)butanoate CCCCC\C=C/C\C=C/C[C@@H](O)CC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C InChI=1S/C21H37NO5/c1-5-6-7-8-9-10-11-12-13-14-18(23)15-21(26)27-19(16-20(24)25)17-22(2,3)4/h9-10,12-13,18-19,23H,5-8,11,14-17H2,1-4H3/b10-9-,13-12-/t18-,19-/m1/s1 LVNITLZCNUEXQK-QNCXCJACSA-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 Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acid esters Carboxylic acid salts Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organopnictogen compounds Secondary alcohols Tetraalkylammonium salts Acyl-carnitine Alcohol Aliphatic acyclic compound Amine Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Carboxylic acid salt Dicarboxylic acid or derivatives Hydrocarbon derivative Hydroxy acid Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organic zwitterion Organonitrogen compound Organooxygen compound Organopnictogen compound Quaternary ammonium salt Secondary alcohol Tetraalkylammonium salt Aliphatic acyclic compounds logp -0.99 ALOGPS logs -5.76 ALOGPS logp -0.81 ChemAxon pka_strongest_acidic 4.12 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac (3R)-3-{[(3R,5Z,8Z)-3-hydroxytetradeca-5,8-dienoyl]oxy}-4-(trimethylazaniumyl)butanoate ChemAxon average_mass 383.529 ChemAxon mono_mass 383.267173295 ChemAxon smiles CCCCC\C=C/C\C=C/C[C@@H](O)CC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C ChemAxon formula C21H37NO5 ChemAxon inchi InChI=1S/C21H37NO5/c1-5-6-7-8-9-10-11-12-13-14-18(23)15-21(26)27-19(16-20(24)25)17-22(2,3)4/h9-10,12-13,18-19,23H,5-8,11,14-17H2,1-4H3/b10-9-,13-12-/t18-,19-/m1/s1 ChemAxon inchikey LVNITLZCNUEXQK-QNCXCJACSA-N ChemAxon polar_surface_area 86.66 ChemAxon refractivity 131.62 ChemAxon polarizability 43.99 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 4 ChemAxon donor_count 1 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::CMs 160194 Specdb::MsMs 2518416 Specdb::MsMs 2518417 Specdb::MsMs 2518418 Specdb::NmrOneD 99618 Specdb::NmrOneD 99619 Specdb::NmrOneD 99620 Specdb::NmrOneD 99621 Specdb::NmrOneD 99622 Specdb::NmrOneD 99623 Specdb::NmrOneD 99624 Specdb::NmrOneD 99625 Specdb::NmrOneD 99626 Specdb::NmrOneD 99627 Specdb::NmrOneD 99628 Specdb::NmrOneD 99629 Specdb::NmrOneD 99630 Specdb::NmrOneD 99631 Specdb::NmrOneD 99632 Specdb::NmrOneD 99633 Specdb::NmrOneD 99634 Specdb::NmrOneD 99635 Specdb::NmrOneD 99636 Specdb::NmrOneD 99637 156908011