1.0 2020-03-26 01:44:58 UTC 2020-04-22 19:30:07 UTC BMDB0101500 TG(24:0/22:1(13Z)/24:0) TAG(24:0/22:1/24:0) Triacylglycerol TG(24:0/22:1/24:0) Triglyceride TAG(70:1) TG(70:1) Tracylglycerol(70:1) 1-Lignoceroyl-2-erucoyl-3-lignoceroyl-glycerol 1-Tetracosanoyl-2-(13Z-docosenoyl)-3-tetracosanoyl-glycerol Tracylglycerol(24:0/22:1/24:0) TG(24:0/22:1(13Z)/24:0) C73H140O6 1113.8891 1113.064992212 2-[(13Z)-docos-13-enoyloxy]-3-(tetracosanoyloxy)propyl tetracosanoate 2-[(13Z)-docos-13-enoyloxy]-3-(tetracosanoyloxy)propyl tetracosanoate [H]C(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC InChI=1S/C73H140O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,70H,4-26,28-29,31-69H2,1-3H3/b30-27- XKBYAKAXXUUJTM-IKPAITLHSA-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 10.54 ALOGPS logs -7.99 ALOGPS logp 28.34 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 2-[(13Z)-docos-13-enoyloxy]-3-(tetracosanoyloxy)propyl tetracosanoate ChemAxon average_mass 1113.8891 ChemAxon mono_mass 1113.064992212 ChemAxon smiles [H]C(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C73H140O6 ChemAxon inchi InChI=1S/C73H140O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,70H,4-26,28-29,31-69H2,1-3H3/b30-27- ChemAxon inchikey XKBYAKAXXUUJTM-IKPAITLHSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 343.63 ChemAxon polarizability 154.92 ChemAxon rotatable_bond_count 71 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 245742 Specdb::MsMs 647029 Specdb::MsMs 647030 Specdb::MsMs 647031 Specdb::MsMs 2413069 Specdb::MsMs 2413070 Specdb::MsMs 2413071 Specdb::MsMs 2414584 Specdb::MsMs 2414585 Specdb::MsMs 2414586 Specdb::MsMs 2777444 Specdb::MsMs 2777445 Specdb::MsMs 2777446 Specdb::MsMs 2900994 Specdb::MsMs 2900995 Specdb::MsMs 2900996 Specdb::MsMs 2943556 Specdb::MsMs 2943557 Specdb::MsMs 2943558 131758160