1.0 2020-03-26 10:18:48 UTC 2020-04-22 20:07:12 UTC BMDB0107337 TG(20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6) 1-(11Z,14Z-Eicosadienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-(8Z,11Z,14Z-eicosatrienoyl)-glycerol 1-Eicosadienoyl-2-docosahexaenoyl-3-homo-g-linolenoyl-glycerol TAG(20:2/22:6/20:3) TAG(20:2n6/22:6/20:3n6) TAG(20:2W6/22:6/20:3W6) TAG(62:11) TG(20:2/22:6/20:3) TG(20:2n6/22:6/20:3n6) TG(20:2W6/22:6/20:3W6) TG(62:11) Tracylglycerol(20:2/22:6/20:3) Tracylglycerol(20:2n6/22:6/20:3n6) Tracylglycerol(20:2W6/22:6/20:3W6) Tracylglycerol(62:11) Triacylglycerol Triglyceride 1-Eicosadienoyl-2-docosahexaenoyl-3-dihomo-gamma-linolenoyl-glycerol TG(20:2n6/22:6n3/20:3n6) TG(20:2W6/22:6W3/20:3W6) Tag(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)) Tag(20:2n6/22:6n3/20:3n6) Tag(20:2W6/22:6W3/20:3W6) Triacylglycerol(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)) Triacylglycerol(20:2/22:6/20:3) Triacylglycerol(20:2n6/22:6n3/20:3n6) Triacylglycerol(20:2W6/22:6W3/20:3W6) Triacylglycerol(62:11) TG(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)) TG(20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6) C65H104O6 981.541 980.783291069 (2S)-1-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate (2S)-1-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propan-2-yl (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)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16-21,25-30,32,35-36,39,41,44,50,53,62H,4-6,8-9,11-15,22-24,31,33-34,37-38,40,42-43,45-49,51-52,54-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,53-50-/t62-/m1/s1 JAYITAIAYFOYRP-MAIKJOQESA-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 10.25 ALOGPS logs -8.27 ALOGPS logp 21.17 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 (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate ChemAxon average_mass 981.541 ChemAxon mono_mass 980.783291069 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)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C65H104O6 ChemAxon inchi InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16-21,25-30,32,35-36,39,41,44,50,53,62H,4-6,8-9,11-15,22-24,31,33-34,37-38,40,42-43,45-49,51-52,54-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,44-41-,53-50-/t62-/m1/s1 ChemAxon inchikey JAYITAIAYFOYRP-MAIKJOQESA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 317.99 ChemAxon polarizability 124.66 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 614221 Specdb::MsMs 614222 Specdb::MsMs 614223 Specdb::MsMs 942271 Specdb::MsMs 942272 Specdb::MsMs 942273 Specdb::MsMs 2326206 Specdb::MsMs 2326207 Specdb::MsMs 2326208 Specdb::MsMs 2411047 Specdb::MsMs 2411048 Specdb::MsMs 2411049 Specdb::MsMs 2946852 Specdb::MsMs 2946853 Specdb::MsMs 2946854 Specdb::MsMs 3039508 Specdb::MsMs 3039509 Specdb::MsMs 3039510 Specdb::MsMs 3100638 Specdb::MsMs 3100639 Specdb::MsMs 3100640 131764269