1.0 2020-03-25 17:12:13 UTC 2020-04-22 19:04:48 UTC BMDB0097494 TG(14:0/20:3n6/22:4(7Z,10Z,13Z,16Z)) 1-Myristoyl-2-homo-g-linolenoyl-3-adrenoyl-glycerol 1-Tetradecanoyl-2-(8Z,11Z,14Z-eicosatrienoyl)-3-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycerol TAG(14:0/20:3/22:4) TAG(14:0/20:3n6/22:4) TAG(14:0/20:3W6/22:4) TAG(56:7) TG(14:0/20:3/22:4) TG(14:0/20:3n6/22:4) TG(14:0/20:3W6/22:4) TG(56:7) Tracylglycerol(14:0/20:3/22:4) Tracylglycerol(14:0/20:3n6/22:4) Tracylglycerol(14:0/20:3W6/22:4) Tracylglycerol(56:7) Triacylglycerol Triglyceride 1-Myristoyl-2-dihomo-gamma-linolenoyl-3-adrenoyl-glycerol TG(14:0/20:3n6/22:4n6) TG(14:0/20:3W6/22:4W6) Tag(14:0/20:3(8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)) Tag(14:0/20:3n6/22:4n6) Tag(14:0/20:3W6/22:4W6) Triacylglycerol(14:0/20:3(8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)) Triacylglycerol(14:0/20:3/22:4) Triacylglycerol(14:0/20:3n6/22:4n6) Triacylglycerol(14:0/20:3W6/22:4W6) Triacylglycerol(56:7) TG(14:0/20:3(8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)) TG(14:0/20:3n6/22:4(7Z,10Z,13Z,16Z)) C59H100O6 905.443 904.75199094 (2S)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-(tetradecanoyloxy)propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate (2S)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-(tetradecanoyloxy)propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,29,31,33-35,37,56H,4-15,18,21-23,28,30,32,36,38-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-/t56-/m0/s1 AWWSQBCZHQLTKM-RFXKNZNWSA-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 10.67 ALOGPS logs -8.18 ALOGPS logp 19.95 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-(tetradecanoyloxy)propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate ChemAxon average_mass 905.443 ChemAxon mono_mass 904.75199094 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C59H100O6 ChemAxon inchi InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,29,31,33-35,37,56H,4-15,18,21-23,28,30,32,36,38-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-/t56-/m0/s1 ChemAxon inchikey AWWSQBCZHQLTKM-RFXKNZNWSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 285.91 ChemAxon polarizability 117.84 ChemAxon rotatable_bond_count 51 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 650494 Specdb::MsMs 650495 Specdb::MsMs 650496 Specdb::MsMs 2553205 Specdb::MsMs 2553206 Specdb::MsMs 2553207 Specdb::MsMs 2614497 Specdb::MsMs 2614498 Specdb::MsMs 2614499 Specdb::MsMs 2712662 Specdb::MsMs 2712663 Specdb::MsMs 2712664 Specdb::MsMs 2760695 Specdb::MsMs 2760696 Specdb::MsMs 2760697 Specdb::MsMs 2965485 Specdb::MsMs 2965486 Specdb::MsMs 2965487 131753759