1.0 2020-03-26 10:09:30 UTC 2020-04-22 20:06:27 UTC BMDB0107220 TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/20:3n6) 1-(11Z,14Z-Eicosadienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-3-(8Z,11Z,14Z-eicosatrienoyl)-glycerol 1-Eicosadienoyl-2-arachidonoyl-3-homo-g-linolenoyl-glycerol TAG(20:2/20:4/20:3) TAG(20:2n6/20:4/20:3n6) TAG(20:2W6/20:4/20:3W6) TAG(60:9) TG(20:2/20:4/20:3) TG(20:2n6/20:4/20:3n6) TG(20:2W6/20:4/20:3W6) TG(60:9) Tracylglycerol(20:2/20:4/20:3) Tracylglycerol(20:2n6/20:4/20:3n6) Tracylglycerol(20:2W6/20:4/20:3W6) Tracylglycerol(60:9) Triacylglycerol Triglyceride 1-Eicosadienoyl-2-arachidonoyl-3-dihomo-gamma-linolenoyl-glycerol TG(20:2n6/20:4n6/20:3n6) TG(20:2W6/20:4W6/20:3W6) Tag(20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z)) Tag(20:2n6/20:4n6/20:3n6) Tag(20:2W6/20:4W6/20:3W6) Triacylglycerol(20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z)) Triacylglycerol(20:2/20:4/20:3) Triacylglycerol(20:2n6/20:4n6/20:3n6) Triacylglycerol(20:2W6/20:4W6/20:3W6) Triacylglycerol(60:9) TG(20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z)) TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/20:3n6) C63H104O6 957.519 956.783291069 (2S)-1-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate (2S)-1-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate [H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34,36-37,39,45,48,60H,4-15,22-24,31-33,35,38,40-44,46-47,49-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,48-45-/t60-/m1/s1 MOTVJOAHEUKKRZ-YESYEGNTSA-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 10.52 ALOGPS logs -8.34 ALOGPS logp 21 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate ChemAxon average_mass 957.519 ChemAxon mono_mass 956.783291069 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C63H104O6 ChemAxon inchi InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34,36-37,39,45,48,60H,4-15,22-24,31-33,35,38,40-44,46-47,49-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,48-45-/t60-/m1/s1 ChemAxon inchikey MOTVJOAHEUKKRZ-YESYEGNTSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 306.55 ChemAxon polarizability 123.16 ChemAxon rotatable_bond_count 53 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 581878 Specdb::MsMs 581879 Specdb::MsMs 581880 Specdb::MsMs 929242 Specdb::MsMs 929243 Specdb::MsMs 929244 Specdb::MsMs 2282302 Specdb::MsMs 2282303 Specdb::MsMs 2282304 Specdb::MsMs 2462631 Specdb::MsMs 2462632 Specdb::MsMs 2462633 Specdb::MsMs 3034103 Specdb::MsMs 3034104 Specdb::MsMs 3034105 Specdb::MsMs 3050876 Specdb::MsMs 3050877 Specdb::MsMs 3050878 Specdb::MsMs 3119104 Specdb::MsMs 3119105 Specdb::MsMs 3119106 131764155