1.0 2020-03-26 04:49:05 UTC 2020-04-22 19:41:02 UTC BMDB0103224 TG(18:1(11Z)/22:0/22:2(13Z,16Z)) 1-(11Z-Octadecenoyl)-2-docosanoyl-3-(13Z,16Z-docosadienoyl)-glycerol 1-Vaccenoyl-2-behenoyl-3-docosadienoyl-glycerol TAG(18:1/22:0/22:2) TAG(62:3) TG(18:1/22:0/22:2) TG(62:3) Tracylglycerol(18:1/22:0/22:2) Tracylglycerol(62:3) Triacylglycerol Triglyceride TG(18:1(11Z)/22:0/22:2(13Z,16Z)) C65H120O6 997.669 996.908491584 (2R)-2-(docosanoyloxy)-3-[(11Z)-octadec-11-enoyloxy]propyl (13Z,16Z)-docosa-13,16-dienoate (2R)-2-(docosanoyloxy)-3-[(11Z)-octadec-11-enoyloxy]propyl (13Z,16Z)-docosa-13,16-dienoate [H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,62H,4-15,17-18,20,22-23,26-27,29-61H2,1-3H3/b19-16-,24-21-,28-25-/t62-/m0/s1 QTHKUGWLLFOXNX-VFJKHEDVSA-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 10.80 ALOGPS logs -8.16 ALOGPS logp 24.06 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-(docosanoyloxy)-3-[(11Z)-octadec-11-enoyloxy]propyl (13Z,16Z)-docosa-13,16-dienoate ChemAxon average_mass 997.669 ChemAxon mono_mass 996.908491584 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC ChemAxon formula C65H120O6 ChemAxon inchi InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,28,62H,4-15,17-18,20,22-23,26-27,29-61H2,1-3H3/b19-16-,24-21-,28-25-/t62-/m0/s1 ChemAxon inchikey QTHKUGWLLFOXNX-VFJKHEDVSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 309.05 ChemAxon polarizability 134.6 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::CMs 236845 Specdb::MsMs 646384 Specdb::MsMs 646385 Specdb::MsMs 646386 Specdb::MsMs 955339 Specdb::MsMs 955340 Specdb::MsMs 955341 Specdb::MsMs 2295255 Specdb::MsMs 2295256 Specdb::MsMs 2295257 Specdb::MsMs 2454289 Specdb::MsMs 2454290 Specdb::MsMs 2454291 Specdb::MsMs 2640442 Specdb::MsMs 2640443 Specdb::MsMs 2640444 Specdb::MsMs 2875625 Specdb::MsMs 2875626 Specdb::MsMs 2875627 Specdb::MsMs 3020013 Specdb::MsMs 3020014 Specdb::MsMs 3020015 131759989