1.0 2020-03-25 17:19:29 UTC 2020-04-22 19:05:21 UTC BMDB0097580 TG(14:0/22:4(7Z,10Z,13Z,16Z)/20:3n6) 1-Myristoyl-2-adrenoyl-3-homo-g-linolenoyl-glycerol 1-Tetradecanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-3-(8Z,11Z,14Z-eicosatrienoyl)-glycerol TAG(14:0/22:4/20:3) TAG(14:0/22:4/20:3n6) TAG(14:0/22:4/20:3W6) TAG(56:7) TG(14:0/22:4/20:3) TG(14:0/22:4/20:3n6) TG(14:0/22:4/20:3W6) TG(56:7) Tracylglycerol(14:0/22:4/20:3) Tracylglycerol(14:0/22:4/20:3n6) Tracylglycerol(14:0/22:4/20:3W6) Tracylglycerol(56:7) Triacylglycerol Triglyceride 1-Myristoyl-2-adrenoyl-3-dihomo-gamma-linolenoyl-glycerol TG(14:0/22:4n6/20:3n6) TG(14:0/22:4W6/20:3W6) Tag(14:0/22:4(7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z)) Tag(14:0/22:4n6/20:3n6) Tag(14:0/22:4W6/20:3W6) Triacylglycerol(14:0/22:4(7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z)) Triacylglycerol(14:0/22:4/20:3) Triacylglycerol(14:0/22:4n6/20:3n6) Triacylglycerol(14:0/22:4W6/20:3W6) Triacylglycerol(56:7) TG(14:0/22:4(7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z)) TG(14:0/22:4(7Z,10Z,13Z,16Z)/20:3n6) C59H100O6 905.443 904.75199094 (2S)-1-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-(tetradecanoyloxy)propan-2-yl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate (2S)-1-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-(tetradecanoyloxy)propan-2-yl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,29,31-32,34-35,38,56H,4-15,18,21-23,28,30,33,36-37,39-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-/t56-/m0/s1 UROZXAFNVBTEJJ-IQVULVQPSA-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)-1-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-(tetradecanoyloxy)propan-2-yl (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)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C59H100O6 ChemAxon inchi InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,29,31-32,34-35,38,56H,4-15,18,21-23,28,30,33,36-37,39-55H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-/t56-/m0/s1 ChemAxon inchikey UROZXAFNVBTEJJ-IQVULVQPSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 285.91 ChemAxon polarizability 115.59 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 628531 Specdb::MsMs 628532 Specdb::MsMs 628533 Specdb::MsMs 948064 Specdb::MsMs 948065 Specdb::MsMs 948066 Specdb::MsMs 2669707 Specdb::MsMs 2669708 Specdb::MsMs 2669709 Specdb::MsMs 2827557 Specdb::MsMs 2827558 Specdb::MsMs 2827559 Specdb::MsMs 2852107 Specdb::MsMs 2852108 Specdb::MsMs 2852109 Specdb::MsMs 2952303 Specdb::MsMs 2952304 Specdb::MsMs 2952305 Specdb::MsMs 3074922 Specdb::MsMs 3074923 Specdb::MsMs 3074924 131753846