1.0 2020-03-26 00:48:51 UTC 2020-04-22 19:25:54 UTC BMDB0100832 TG(22:0/24:1(15Z)/20:4(5Z,8Z,11Z,14Z)) 1-Behenoyl-2-nervonoyl-3-arachidonoyl-glycerol 1-Docosanoyl-2-(15Z-tetracosanoyl)-3-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-glycerol TAG(22:0/24:1/20:4) TAG(66:5) TG(22:0/24:1/20:4) TG(66:5) Tracylglycerol(22:0/24:1/20:4) Tracylglycerol(66:5) Triacylglycerol Triglyceride TG(22:0/24:1(15Z)/20:4(5Z,8Z,11Z,14Z)) C69H124O6 1049.745 1048.939791713 (2S)-1-(docosanoyloxy)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propan-2-yl (15Z)-tetracos-15-enoate (2S)-1-(docosanoyloxy)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propan-2-yl (15Z)-tetracos-15-enoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,40,43,49,52,66H,4-17,19-20,22-24,26,29,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b21-18-,28-25-,30-27-,43-40-,52-49-/t66-/m1/s1 UVOBICGEHGSRKX-QWOMWQHBSA-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 10.85 ALOGPS logs -8.25 ALOGPS logp 25.12 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-(docosanoyloxy)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propan-2-yl (15Z)-tetracos-15-enoate ChemAxon average_mass 1049.745 ChemAxon mono_mass 1048.939791713 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C69H124O6 ChemAxon inchi InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25,27-28,30,40,43,49,52,66H,4-17,19-20,22-24,26,29,31-39,41-42,44-48,50-51,53-65H2,1-3H3/b21-18-,28-25-,30-27-,43-40-,52-49-/t66-/m1/s1 ChemAxon inchikey UVOBICGEHGSRKX-QWOMWQHBSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 329.69 ChemAxon polarizability 140.85 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::CMs 207880 Specdb::MsMs 655636 Specdb::MsMs 655637 Specdb::MsMs 655638 Specdb::MsMs 958840 Specdb::MsMs 958841 Specdb::MsMs 958842 Specdb::MsMs 2354584 Specdb::MsMs 2354585 Specdb::MsMs 2354586 Specdb::MsMs 2472420 Specdb::MsMs 2472421 Specdb::MsMs 2472422 Specdb::MsMs 2740249 Specdb::MsMs 2740250 Specdb::MsMs 2740251 Specdb::MsMs 2894960 Specdb::MsMs 2894961 Specdb::MsMs 2894962 Specdb::MsMs 2939178 Specdb::MsMs 2939179 Specdb::MsMs 2939180 131757529