1.0 2020-03-26 01:54:19 UTC 2020-04-22 19:30:50 UTC BMDB0101612 TG(24:0/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z)) 1-Lignoceroyl-2-eicosadienoyl-3-osbondoyl-glycerol 1-Tetracosanoyl-2-(11Z,14Z-eicosadienoyl)-3-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-glycerol TAG(24:0/20:2/22:5) TAG(24:0/20:2n6/22:5) TAG(24:0/20:2W6/22:5) TAG(66:7) TG(24:0/20:2/22:5) TG(24:0/20:2n6/22:5) TG(24:0/20:2W6/22:5) TG(66:7) Tracylglycerol(24:0/20:2/22:5) Tracylglycerol(24:0/20:2n6/22:5) Tracylglycerol(24:0/20:2W6/22:5) Tracylglycerol(66:7) Triacylglycerol Triglyceride TG(24:0/20:2n6/22:5n6) TG(24:0/20:2W6/22:5W6) Tag(24:0/20:2(11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)) Tag(24:0/20:2n6/22:5n6) Tag(24:0/20:2W6/22:5W6) Triacylglycerol(24:0/20:2(11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)) Triacylglycerol(24:0/20:2/22:5) Triacylglycerol(24:0/20:2n6/22:5n6) Triacylglycerol(24:0/20:2W6/22:5W6) Triacylglycerol(66:7) TG(24:0/20:2(11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)) TG(24:0/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z)) C69H120O6 1045.713 1044.908491584 (2S)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(11Z,14Z)-icosa-11,14-dienoyloxy]propyl tetracosanoate (2S)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(11Z,14Z)-icosa-11,14-dienoyloxy]propyl tetracosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,35,38,43,46,52,55,66H,4-16,19,22-25,28,31-34,36-37,39-42,44-45,47-51,53-54,56-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,38-35-,46-43-,55-52-/t66-/m1/s1 RDBWERNOCIEDEY-ILTYXLNKSA-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 10.96 ALOGPS logs -8.20 ALOGPS logp 24.39 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(11Z,14Z)-icosa-11,14-dienoyloxy]propyl tetracosanoate ChemAxon average_mass 1045.713 ChemAxon mono_mass 1044.908491584 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC ChemAxon formula C69H120O6 ChemAxon inchi InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29-30,35,38,43,46,52,55,66H,4-16,19,22-25,28,31-34,36-37,39-42,44-45,47-51,53-54,56-65H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,38-35-,46-43-,55-52-/t66-/m1/s1 ChemAxon inchikey RDBWERNOCIEDEY-ILTYXLNKSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 331.92 ChemAxon polarizability 137.81 ChemAxon rotatable_bond_count 61 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 568900 Specdb::MsMs 568901 Specdb::MsMs 568902 Specdb::MsMs 924064 Specdb::MsMs 924065 Specdb::MsMs 924066 Specdb::MsMs 2415820 Specdb::MsMs 2415821 Specdb::MsMs 2415822 Specdb::MsMs 2458834 Specdb::MsMs 2458835 Specdb::MsMs 2458836 Specdb::MsMs 2545947 Specdb::MsMs 2545948 Specdb::MsMs 2545949 Specdb::MsMs 2821260 Specdb::MsMs 2821261 Specdb::MsMs 2821262 Specdb::MsMs 2882003 Specdb::MsMs 2882004 Specdb::MsMs 2882005 131758272