1.0 2020-03-26 09:53:40 UTC 2020-04-22 20:05:07 UTC BMDB0107009 TG(20:2n6/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1-(11Z,14Z-Eicosadienoyl)-2-hexadecanoyl-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycerol 1-Eicosadienoyl-2-palmitoyl-3-docosahexaenoyl-glycerol TAG(20:2/16:0/22:6) TAG(20:2n6/16:0/22:6) TAG(20:2W6/16:0/22:6) TAG(58:8) TG(20:2/16:0/22:6) TG(20:2n6/16:0/22:6) TG(20:2W6/16:0/22:6) TG(58:8) Tracylglycerol(20:2/16:0/22:6) Tracylglycerol(20:2n6/16:0/22:6) Tracylglycerol(20:2W6/16:0/22:6) Tracylglycerol(58:8) Triacylglycerol Triglyceride TG(20:2n6/16:0/22:6n3) TG(20:2W6/16:0/22:6W3) Tag(20:2(11Z,14Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Tag(20:2n6/16:0/22:6n3) Tag(20:2W6/16:0/22:6W3) Triacylglycerol(20:2(11Z,14Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Triacylglycerol(20:2/16:0/22:6) Triacylglycerol(20:2n6/16:0/22:6n3) Triacylglycerol(20:2W6/16:0/22:6W3) Triacylglycerol(58:8) TG(20:2(11Z,14Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) TG(20:2n6/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C61H102O6 931.481 930.767641004 (2S)-2-(hexadecanoyloxy)-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate (2S)-2-(hexadecanoyloxy)-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate [H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32,37,39,45,48,58H,4-6,8-9,11-15,18,21-24,29,31,33-36,38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,39-37-,48-45-/t58-/m0/s1 SKXPMTUNBQJQEN-HOYPHCJDSA-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 10.69 ALOGPS logs -8.27 ALOGPS logp 20.47 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-(hexadecanoyloxy)-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate ChemAxon average_mass 931.481 ChemAxon mono_mass 930.767641004 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC ChemAxon formula C61H102O6 ChemAxon inchi InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32,37,39,45,48,58H,4-6,8-9,11-15,18,21-24,29,31,33-36,38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,39-37-,48-45-/t58-/m0/s1 ChemAxon inchikey SKXPMTUNBQJQEN-HOYPHCJDSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 296.23 ChemAxon polarizability 119.55 ChemAxon rotatable_bond_count 52 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 191005 Specdb::MsMs 620545 Specdb::MsMs 620546 Specdb::MsMs 620547 Specdb::MsMs 944827 Specdb::MsMs 944828 Specdb::MsMs 944829 Specdb::MsMs 2444257 Specdb::MsMs 2444258 Specdb::MsMs 2444259 Specdb::MsMs 3040384 Specdb::MsMs 3040385 Specdb::MsMs 3040386 Specdb::MsMs 3065615 Specdb::MsMs 3065616 Specdb::MsMs 3065617 Specdb::MsMs 3103103 Specdb::MsMs 3103104 Specdb::MsMs 3103105 Specdb::MsMs 3117051 Specdb::MsMs 3117052 Specdb::MsMs 3117053 131763951