1.0 2020-03-26 05:34:42 UTC 2020-04-22 19:44:31 UTC BMDB0103772 TG(18:1(9Z)/24:0/22:1(13Z)) 1-(9Z-Octadecenoyl)-2-tetracosanoyl-3-(13Z-docosenoyl)-glycerol 1-Oleoyl-2-lignoceroyl-3-erucoyl-glycerol TAG(18:1/24:0/22:1) TAG(64:2) TG(18:1/24:0/22:1) TG(64:2) Tracylglycerol(18:1/24:0/22:1) Tracylglycerol(64:2) Triacylglycerol Triglyceride TG(18:1(9Z)/24:0/22:1(13Z)) C67H126O6 1027.739 1026.955441777 (2R)-1-[(13Z)-docos-13-enoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propan-2-yl tetracosanoate (2R)-1-[(13Z)-docos-13-enoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propan-2-yl tetracosanoate [H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h26-27,29,38,64H,4-25,28,30-37,39-63H2,1-3H3/b29-26-,38-27-/t64-/m0/s1 DEBNXHNUVORXAK-GNYVGGGLSA-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 (2R)-1-[(13Z)-docos-13-enoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propan-2-yl tetracosanoate ChemAxon average_mass 1027.739 ChemAxon mono_mass 1026.955441777 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC ChemAxon formula C67H126O6 ChemAxon inchi InChI=1S/C67H126O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h26-27,29,38,64H,4-25,28,30-37,39-63H2,1-3H3/b29-26-,38-27-/t64-/m0/s1 ChemAxon inchikey DEBNXHNUVORXAK-GNYVGGGLSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 317.14 ChemAxon polarizability 140.25 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 238524 Specdb::MsMs 593773 Specdb::MsMs 593774 Specdb::MsMs 593775 Specdb::MsMs 934066 Specdb::MsMs 934067 Specdb::MsMs 934068 Specdb::MsMs 2349886 Specdb::MsMs 2349887 Specdb::MsMs 2349888 Specdb::MsMs 2416636 Specdb::MsMs 2416637 Specdb::MsMs 2416638 Specdb::MsMs 2589337 Specdb::MsMs 2589338 Specdb::MsMs 2589339 Specdb::MsMs 2953971 Specdb::MsMs 2953972 Specdb::MsMs 2953973 Specdb::MsMs 3004119 Specdb::MsMs 3004120 Specdb::MsMs 3004121 131760606