1.0 2020-03-26 08:20:32 UTC 2020-04-22 19:57:10 UTC BMDB0105768 TG(24:1(15Z)/20:0/20:2n6) 1-(15Z-Tetracosanoyl)-2-eicosanoyl-3-(11Z,14Z-eicosadienoyl)-glycerol 1-Nervonoyl-2-arachidonyl-3-eicosadienoyl-glycerol TAG(24:1/20:0/20:2) TAG(24:1/20:0/20:2n6) TAG(24:1/20:0/20:2W6) TAG(64:3) TG(24:1/20:0/20:2) TG(24:1/20:0/20:2n6) TG(24:1/20:0/20:2W6) TG(64:3) Tracylglycerol(24:1/20:0/20:2) Tracylglycerol(24:1/20:0/20:2n6) Tracylglycerol(24:1/20:0/20:2W6) Tracylglycerol(64:3) Triacylglycerol Triglyceride 1-Nervonoyl-2-arachidoyl-3-eicosadienoyl-glycerol TG(24:1n9/20:0/20:2n6) TG(24:1W9/20:0/20:2W6) Tag(24:1(15Z)/20:0/20:2(11Z,14Z)) Tag(24:1n9/20:0/20:2n6) Tag(24:1W9/20:0/20:2W6) Triacylglycerol(24:1(15Z)/20:0/20:2(11Z,14Z)) Triacylglycerol(24:1/20:0/20:2) Triacylglycerol(24:1n9/20:0/20:2n6) Triacylglycerol(24:1W9/20:0/20:2W6) Triacylglycerol(64:3) TG(24:1(15Z)/20:0/20:2(11Z,14Z)) TG(24:1(15Z)/20:0/20:2n6) C67H124O6 1025.723 1024.939791713 (2S)-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]-2-(icosanoyloxy)propyl (15Z)-tetracos-15-enoate (2S)-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]-2-(icosanoyloxy)propyl (15Z)-tetracos-15-enoate [H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,64H,4-16,18-19,21-24,27,30-63H2,1-3H3/b20-17-,28-25-,29-26-/t64-/m1/s1 KRPNAUPTQXOLKO-VIKFBVAMSA-N belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages. Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Triacylglycerols Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Organic oxides Tricarboxylic acids and derivatives Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives Aliphatic acyclic compounds logp 10.78 ALOGPS logs -8.18 ALOGPS logp 24.95 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]-2-(icosanoyloxy)propyl (15Z)-tetracos-15-enoate ChemAxon average_mass 1025.723 ChemAxon mono_mass 1024.939791713 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC ChemAxon formula C67H124O6 ChemAxon inchi InChI=1S/C67H124O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,64H,4-16,18-19,21-24,27,30-63H2,1-3H3/b20-17-,28-25-,29-26-/t64-/m1/s1 ChemAxon inchikey KRPNAUPTQXOLKO-VIKFBVAMSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 318.26 ChemAxon polarizability 138.8 ChemAxon rotatable_bond_count 63 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 672157 Specdb::MsMs 672158 Specdb::MsMs 672159 Specdb::MsMs 965398 Specdb::MsMs 965399 Specdb::MsMs 965400 Specdb::MsMs 2373429 Specdb::MsMs 2373430 Specdb::MsMs 2373431 Specdb::MsMs 2825581 Specdb::MsMs 2825582 Specdb::MsMs 2825583 Specdb::MsMs 2856546 Specdb::MsMs 2856547 Specdb::MsMs 2856548 Specdb::MsMs 2863548 Specdb::MsMs 2863549 Specdb::MsMs 2863550 Specdb::MsMs 2903745 Specdb::MsMs 2903746 Specdb::MsMs 2903747 131762676