1.0 2020-03-26 10:22:39 UTC 2020-04-22 20:07:31 UTC BMDB0107387 TG(20:3n6/16:0/22:2(13Z,16Z)) 1-(8Z,11Z,14Z-Eicosatrienoyl)-2-hexadecanoyl-3-(13Z,16Z-docosadienoyl)-glycerol 1-Homo-g-linolenoyl-2-palmitoyl-3-docosadienoyl-glycerol TAG(20:3/16:0/22:2) TAG(20:3n6/16:0/22:2) TAG(20:3W6/16:0/22:2) TAG(58:5) TG(20:3/16:0/22:2) TG(20:3n6/16:0/22:2) TG(20:3W6/16:0/22:2) TG(58:5) Tracylglycerol(20:3/16:0/22:2) Tracylglycerol(20:3n6/16:0/22:2) Tracylglycerol(20:3W6/16:0/22:2) Tracylglycerol(58:5) Triacylglycerol Triglyceride 1-Dihomo-gamma-linolenoyl-2-palmitoyl-3-docosadienoyl-glycerol TG(20:3n6/16:0/22:2n6) TG(20:3W6/16:0/22:2W6) Tag(20:3(8Z,11Z,14Z)/16:0/22:2(13Z,16Z)) Tag(20:3n6/16:0/22:2n6) Tag(20:3W6/16:0/22:2W6) Triacylglycerol(20:3(8Z,11Z,14Z)/16:0/22:2(13Z,16Z)) Triacylglycerol(20:3/16:0/22:2) Triacylglycerol(20:3n6/16:0/22:2n6) Triacylglycerol(20:3W6/16:0/22:2W6) Triacylglycerol(58:5) TG(20:3(8Z,11Z,14Z)/16:0/22:2(13Z,16Z)) TG(20:3n6/16:0/22:2(13Z,16Z)) C61H108O6 937.529 936.814591198 (2R)-2-(hexadecanoyloxy)-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propyl (13Z,16Z)-docosa-13,16-dienoate (2R)-2-(hexadecanoyloxy)-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propyl (13Z,16Z)-docosa-13,16-dienoate [H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,33,36,58H,4-15,18,21-24,29-32,34-35,37-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,36-33-/t58-/m0/s1 WMZWHBZMDBLYOA-XKQXSAAHSA-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 10.87 ALOGPS logs -8.20 ALOGPS logp 21.56 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-(hexadecanoyloxy)-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propyl (13Z,16Z)-docosa-13,16-dienoate ChemAxon average_mass 937.529 ChemAxon mono_mass 936.814591198 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC ChemAxon formula C61H108O6 ChemAxon inchi InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,33,36,58H,4-15,18,21-24,29-32,34-35,37-57H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,36-33-/t58-/m0/s1 ChemAxon inchikey WMZWHBZMDBLYOA-XKQXSAAHSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 292.88 ChemAxon polarizability 123.57 ChemAxon rotatable_bond_count 55 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 677119 Specdb::MsMs 677120 Specdb::MsMs 677121 Specdb::MsMs 967471 Specdb::MsMs 967472 Specdb::MsMs 967473 Specdb::MsMs 2450500 Specdb::MsMs 2450501 Specdb::MsMs 2450502 Specdb::MsMs 2810885 Specdb::MsMs 2810886 Specdb::MsMs 2810887 Specdb::MsMs 2880257 Specdb::MsMs 2880258 Specdb::MsMs 2880259 Specdb::MsMs 2895448 Specdb::MsMs 2895449 Specdb::MsMs 2895450 Specdb::MsMs 3030383 Specdb::MsMs 3030384 Specdb::MsMs 3030385 131764319