1.0 2020-03-25 17:15:14 UTC 2020-04-22 19:05:02 UTC BMDB0097530 TG(14:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1-Myristoyl-2-arachidonoyl-3-docosahexaenoyl-glycerol 1-Tetradecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycerol TAG(14:0/20:4/22:6) TAG(56:10) TG(14:0/20:4/22:6) TG(56:10) Tracylglycerol(14:0/20:4/22:6) Tracylglycerol(56:10) Triacylglycerol Triglyceride TG(14:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C59H94O6 899.395 898.705040747 (2S)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-(tetradecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate (2S)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-(tetradecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C59H94O6/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/h7,10,16-17,19-20,24-27,29,31,33-35,37,41,43-44,46,56H,4-6,8-9,11-15,18,21-23,28,30,32,36,38-40,42,45,47-55H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-,46-43-/t56-/m0/s1 JUJWGAZXRNEYPW-RJWGBOJGSA-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 10.05 ALOGPS logs -8.20 ALOGPS logp 18.86 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-(tetradecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate ChemAxon average_mass 899.395 ChemAxon mono_mass 898.705040747 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C59H94O6 ChemAxon inchi InChI=1S/C59H94O6/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/h7,10,16-17,19-20,24-27,29,31,33-35,37,41,43-44,46,56H,4-6,8-9,11-15,18,21-23,28,30,32,36,38-40,42,45,47-55H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,44-41-,46-43-/t56-/m0/s1 ChemAxon inchikey JUJWGAZXRNEYPW-RJWGBOJGSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 289.26 ChemAxon polarizability 111.64 ChemAxon rotatable_bond_count 48 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 653284 Specdb::MsMs 653285 Specdb::MsMs 653286 Specdb::MsMs 957943 Specdb::MsMs 957944 Specdb::MsMs 957945 Specdb::MsMs 2266413 Specdb::MsMs 2266414 Specdb::MsMs 2266415 Specdb::MsMs 2643117 Specdb::MsMs 2643118 Specdb::MsMs 2643119 Specdb::MsMs 2761093 Specdb::MsMs 2761094 Specdb::MsMs 2761095 Specdb::MsMs 2945055 Specdb::MsMs 2945056 Specdb::MsMs 2945057 Specdb::MsMs 3096235 Specdb::MsMs 3096236 Specdb::MsMs 3096237 131753796