1.0 2020-03-26 06:16:54 UTC 2020-04-22 19:47:45 UTC BMDB0104284 TG(20:1(11Z)/24:0/20:1(11Z)) TG(64:2) Triacylglycerol TAG(64:2) Triglyceride 1-Eicosenoyl-2-lignoceroyl-3-eicosenoyl-glycerol TG(20:1/24:0/20:1) Tracylglycerol(20:1/24:0/20:1) Tracylglycerol(64:2) 1-(11-Eicosenoyl)-2-tetracosanoyl-3-(11-eicosenoyl)-glycerol TAG(20:1/24:0/20:1) TG(20:1(11Z)/24:0/20:1(11Z)) C67H126O6 1027.7137 1026.955441764 1,3-bis[(11Z)-icos-11-enoyloxy]propan-2-yl tetracosanoate 1,3-bis[(11Z)-icos-11-enoyloxy]propan-2-yl tetracosanoate [H]C(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h26-27,29-30,64H,4-25,28,31-63H2,1-3H3/b29-26-,30-27- XWGRJCVJYZJUMR-MIFGFRIJSA-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 -8.08 ALOGPS logp 25.31 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 1,3-bis[(11Z)-icos-11-enoyloxy]propan-2-yl tetracosanoate ChemAxon average_mass 1027.7137 ChemAxon mono_mass 1026.955441764 ChemAxon smiles [H]C(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC ChemAxon formula C67H126O6 ChemAxon inchi InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h26-27,29-30,64H,4-25,28,31-63H2,1-3H3/b29-26-,30-27- ChemAxon inchikey XWGRJCVJYZJUMR-MIFGFRIJSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 317.14 ChemAxon polarizability 140.41 ChemAxon rotatable_bond_count 64 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 224397 Specdb::MsMs 574156 Specdb::MsMs 574157 Specdb::MsMs 574158 Specdb::MsMs 2364580 Specdb::MsMs 2364581 Specdb::MsMs 2364582 Specdb::MsMs 2465856 Specdb::MsMs 2465857 Specdb::MsMs 2465858 Specdb::MsMs 2497082 Specdb::MsMs 2497083 Specdb::MsMs 2497084 Specdb::MsMs 3002161 Specdb::MsMs 3002162 Specdb::MsMs 3002163 Specdb::MsMs 3103874 Specdb::MsMs 3103875 Specdb::MsMs 3103876 131761162