1.0 2020-03-26 02:08:02 UTC 2020-04-22 19:31:52 UTC BMDB0101775 TG(24:0/18:4(6Z,9Z,12Z,15Z)/20:2n6) 1-Lignoceroyl-2-stearidonoyl-3-eicosadienoyl-glycerol 1-Tetracosanoyl-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-3-(11Z,14Z-eicosadienoyl)-glycerol TAG(24:0/18:4/20:2) TAG(24:0/18:4/20:2n6) TAG(24:0/18:4/20:2W6) TAG(62:6) TG(24:0/18:4/20:2) TG(24:0/18:4/20:2n6) TG(24:0/18:4/20:2W6) TG(62:6) Tracylglycerol(24:0/18:4/20:2) Tracylglycerol(24:0/18:4/20:2n6) Tracylglycerol(24:0/18:4/20:2W6) Tracylglycerol(62:6) Triacylglycerol Triglyceride TG(24:0/18:4n3/20:2n6) TG(24:0/18:4W3/20:2W6) Tag(24:0/18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)) Tag(24:0/18:4n3/20:2n6) Tag(24:0/18:4W3/20:2W6) Triacylglycerol(24:0/18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)) Triacylglycerol(24:0/18:4/20:2) Triacylglycerol(24:0/18:4n3/20:2n6) Triacylglycerol(24:0/18:4W3/20:2W6) Triacylglycerol(62:6) TG(24:0/18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)) TG(24:0/18:4(6Z,9Z,12Z,15Z)/20:2n6) C65H114O6 991.621 990.861541391 (2S)-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl tetracosanoate (2S)-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl tetracosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,36,44,47,62H,4-8,10-11,13-16,19,22-25,28,30-35,37-43,45-46,48-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-27-,47-44-/t62-/m1/s1 FLAMDBKNYLFZHU-ZYUHGWRKSA-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 10.93 ALOGPS logs -8.23 ALOGPS logp 22.98 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl tetracosanoate ChemAxon average_mass 991.621 ChemAxon mono_mass 990.861541391 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C65H114O6 ChemAxon inchi InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,36,44,47,62H,4-8,10-11,13-16,19,22-25,28,30-35,37-43,45-46,48-61H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,36-27-,47-44-/t62-/m1/s1 ChemAxon inchikey FLAMDBKNYLFZHU-ZYUHGWRKSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 312.4 ChemAxon polarizability 131.57 ChemAxon rotatable_bond_count 58 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 656974 Specdb::MsMs 656975 Specdb::MsMs 656976 Specdb::MsMs 959401 Specdb::MsMs 959402 Specdb::MsMs 959403 Specdb::MsMs 2366128 Specdb::MsMs 2366129 Specdb::MsMs 2366130 Specdb::MsMs 2496029 Specdb::MsMs 2496030 Specdb::MsMs 2496031 Specdb::MsMs 2531400 Specdb::MsMs 2531401 Specdb::MsMs 2531402 Specdb::MsMs 2599014 Specdb::MsMs 2599015 Specdb::MsMs 2599016 Specdb::MsMs 2746052 Specdb::MsMs 2746053 Specdb::MsMs 2746054 131758434