1.0 2020-03-26 08:03:43 UTC 2020-04-22 19:55:45 UTC BMDB0105543 TG(22:1(13Z)/22:2(13Z,16Z)/20:2n6) 1-(13Z-Docosenoyl)-2-(13Z,16Z-docosadienoyl)-3-(11Z,14Z-eicosadienoyl)-glycerol 1-Erucoyl-2-docosadienoyl-3-eicosadienoyl-glycerol TAG(22:1/22:2/20:2) TAG(22:1/22:2/20:2n6) TAG(22:1/22:2/20:2W6) TAG(64:5) TG(22:1/22:2/20:2) TG(22:1/22:2/20:2n6) TG(22:1/22:2/20:2W6) TG(64:5) Tracylglycerol(22:1/22:2/20:2) Tracylglycerol(22:1/22:2/20:2n6) Tracylglycerol(22:1/22:2/20:2W6) Tracylglycerol(64:5) Triacylglycerol Triglyceride TG(22:1n9/22:2n6/20:2n6) TG(22:1W9/22:2W6/20:2W6) Tag(22:1(13Z)/22:2(13Z,16Z)/20:2(11Z,14Z)) Tag(22:1n9/22:2n6/20:2n6) Tag(22:1W9/22:2W6/20:2W6) Triacylglycerol(22:1(13Z)/22:2(13Z,16Z)/20:2(11Z,14Z)) Triacylglycerol(22:1/22:2/20:2) Triacylglycerol(22:1n9/22:2n6/20:2n6) Triacylglycerol(22:1W9/22:2W6/20:2W6) Triacylglycerol(64:5) TG(22:1(13Z)/22:2(13Z,16Z)/20:2(11Z,14Z)) TG(22:1(13Z)/22:2(13Z,16Z)/20:2n6) C67H120O6 1021.691 1020.908491584 (2S)-1-[(13Z)-docos-13-enoyloxy]-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]propan-2-yl (13Z,16Z)-docosa-13,16-dienoate (2S)-1-[(13Z)-docos-13-enoyloxy]-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]propan-2-yl (13Z,16Z)-docosa-13,16-dienoate [H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,64H,4-16,19,22-24,31-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-/t64-/m1/s1 ATSLQFJFGMNNIY-LCZBZASQSA-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 10.79 ALOGPS logs -8.26 ALOGPS logp 24.23 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(13Z)-docos-13-enoyloxy]-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]propan-2-yl (13Z,16Z)-docosa-13,16-dienoate ChemAxon average_mass 1021.691 ChemAxon mono_mass 1020.908491584 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC ChemAxon formula C67H120O6 ChemAxon inchi InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-30,64H,4-16,19,22-24,31-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,30-27-/t64-/m1/s1 ChemAxon inchikey ATSLQFJFGMNNIY-LCZBZASQSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 320.49 ChemAxon polarizability 135.66 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 647050 Specdb::MsMs 647051 Specdb::MsMs 647052 Specdb::MsMs 955549 Specdb::MsMs 955550 Specdb::MsMs 955551 Specdb::MsMs 2426155 Specdb::MsMs 2426156 Specdb::MsMs 2426157 Specdb::MsMs 2509705 Specdb::MsMs 2509706 Specdb::MsMs 2509707 Specdb::MsMs 2591800 Specdb::MsMs 2591801 Specdb::MsMs 2591802 Specdb::MsMs 2664010 Specdb::MsMs 2664011 Specdb::MsMs 2664012 Specdb::MsMs 2699016 Specdb::MsMs 2699017 Specdb::MsMs 2699018 131762452