1.0 2020-03-26 09:57:06 UTC 2020-04-22 20:05:24 UTC BMDB0107054 TG(20:2n6/24:0/22:4(7Z,10Z,13Z,16Z)) 1-(11Z,14Z-Eicosadienoyl)-2-tetracosanoyl-3-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycerol 1-Eicosadienoyl-2-lignoceroyl-3-adrenoyl-glycerol TAG(20:2/24:0/22:4) TAG(20:2n6/24:0/22:4) TAG(20:2W6/24:0/22:4) TAG(66:6) TG(20:2/24:0/22:4) TG(20:2n6/24:0/22:4) TG(20:2W6/24:0/22:4) TG(66:6) Tracylglycerol(20:2/24:0/22:4) Tracylglycerol(20:2n6/24:0/22:4) Tracylglycerol(20:2W6/24:0/22:4) Tracylglycerol(66:6) Triacylglycerol Triglyceride TG(20:2n6/24:0/22:4n6) TG(20:2W6/24:0/22:4W6) Tag(20:2(11Z,14Z)/24:0/22:4(7Z,10Z,13Z,16Z)) Tag(20:2n6/24:0/22:4n6) Tag(20:2W6/24:0/22:4W6) Triacylglycerol(20:2(11Z,14Z)/24:0/22:4(7Z,10Z,13Z,16Z)) Triacylglycerol(20:2/24:0/22:4) Triacylglycerol(20:2n6/24:0/22:4n6) Triacylglycerol(20:2W6/24:0/22:4W6) Triacylglycerol(66:6) TG(20:2(11Z,14Z)/24:0/22:4(7Z,10Z,13Z,16Z)) TG(20:2n6/24:0/22:4(7Z,10Z,13Z,16Z)) C69H122O6 1047.729 1046.924141648 (2S)-1-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]propan-2-yl tetracosanoate (2S)-1-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]propan-2-yl tetracosanoate [H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC InChI=1S/C69H122O6/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/h17-18,20-21,26-27,29-30,35,38,44,47,66H,4-16,19,22-25,28,31-34,36-37,39-43,45-46,48-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,38-35-,47-44-/t66-/m0/s1 UFCXLJLCGMVWTF-NMTKAVHXSA-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 10.89 ALOGPS logs -8.28 ALOGPS logp 24.75 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]propan-2-yl tetracosanoate ChemAxon average_mass 1047.729 ChemAxon mono_mass 1046.924141648 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC ChemAxon formula C69H122O6 ChemAxon inchi InChI=1S/C69H122O6/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/h17-18,20-21,26-27,29-30,35,38,44,47,66H,4-16,19,22-25,28,31-34,36-37,39-43,45-46,48-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,38-35-,47-44-/t66-/m0/s1 ChemAxon inchikey UFCXLJLCGMVWTF-NMTKAVHXSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 330.81 ChemAxon polarizability 140.22 ChemAxon rotatable_bond_count 62 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 631330 Specdb::MsMs 631331 Specdb::MsMs 631332 Specdb::MsMs 949261 Specdb::MsMs 949262 Specdb::MsMs 949263 Specdb::MsMs 2287635 Specdb::MsMs 2287636 Specdb::MsMs 2287637 Specdb::MsMs 2473619 Specdb::MsMs 2473620 Specdb::MsMs 2473621 Specdb::MsMs 2504183 Specdb::MsMs 2504184 Specdb::MsMs 2504185 Specdb::MsMs 2648193 Specdb::MsMs 2648194 Specdb::MsMs 2648195 Specdb::MsMs 2826280 Specdb::MsMs 2826281 Specdb::MsMs 2826282 131763994