1.0 2020-03-26 09:23:47 UTC 2020-04-22 20:02:33 UTC BMDB0106604 TG(18:3(6Z,9Z,12Z)/16:0/20:3n6) 1-(6Z,9Z,12Z-Octadecatrienoyl)-2-hexadecanoyl-3-(8Z,11Z,14Z-eicosatrienoyl)-glycerol 1-g-Linolenoyl-2-palmitoyl-3-homo-g-linolenoyl-glycerol TAG(18:3/16:0/20:3) TAG(18:3/16:0/20:3n6) TAG(18:3/16:0/20:3W6) TAG(54:6) TG(18:3/16:0/20:3) TG(18:3/16:0/20:3n6) TG(18:3/16:0/20:3W6) TG(54:6) Tracylglycerol(18:3/16:0/20:3) Tracylglycerol(18:3/16:0/20:3n6) Tracylglycerol(18:3/16:0/20:3W6) Tracylglycerol(54:6) Triacylglycerol Triglyceride 1-gamma-Linolenoyl-2-palmitoyl-3-dihomo-gamma-linolenoyl-glycerol TG(18:3n6/16:0/20:3n6) TG(18:3W6/16:0/20:3W6) Tag(18:3(6Z,9Z,12Z)/16:0/20:3(8Z,11Z,14Z)) Tag(18:3n6/16:0/20:3n6) Tag(18:3W6/16:0/20:3W6) Triacylglycerol(18:3(6Z,9Z,12Z)/16:0/20:3(8Z,11Z,14Z)) Triacylglycerol(18:3/16:0/20:3) Triacylglycerol(18:3n6/16:0/20:3n6) Triacylglycerol(18:3W6/16:0/20:3W6) Triacylglycerol(54:6) TG(18:3(6Z,9Z,12Z)/16:0/20:3(8Z,11Z,14Z)) TG(18:3(6Z,9Z,12Z)/16:0/20:3n6) C57H98O6 879.405 878.736340876 (2R)-2-(hexadecanoyloxy)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (8Z,11Z,14Z)-icosa-8,11,14-trienoate (2R)-2-(hexadecanoyloxy)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (8Z,11Z,14Z)-icosa-8,11,14-trienoate [H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-30,33-34,37,54H,4-15,18,21-24,28,31-32,35-36,38-53H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,33-30-,37-34-/t54-/m0/s1 OJQITFXDTSQSGJ-OJEIRCLISA-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 10.69 ALOGPS logs -8.05 ALOGPS logp 19.42 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-(hexadecanoyloxy)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (8Z,11Z,14Z)-icosa-8,11,14-trienoate ChemAxon average_mass 879.405 ChemAxon mono_mass 878.736340876 ChemAxon smiles [H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC ChemAxon formula C57H98O6 ChemAxon inchi InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-30,33-34,37,54H,4-15,18,21-24,28,31-32,35-36,38-53H2,1-3H3/b19-16-,20-17-,27-25-,29-26-,33-30-,37-34-/t54-/m0/s1 ChemAxon inchikey OJQITFXDTSQSGJ-OJEIRCLISA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 275.6 ChemAxon polarizability 112.97 ChemAxon rotatable_bond_count 50 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 600109 Specdb::MsMs 600110 Specdb::MsMs 600111 Specdb::MsMs 936604 Specdb::MsMs 936605 Specdb::MsMs 936606 Specdb::MsMs 2391592 Specdb::MsMs 2391593 Specdb::MsMs 2391594 Specdb::MsMs 2554849 Specdb::MsMs 2554850 Specdb::MsMs 2554851 Specdb::MsMs 2570591 Specdb::MsMs 2570592 Specdb::MsMs 2570593 Specdb::MsMs 2762335 Specdb::MsMs 2762336 Specdb::MsMs 2762337 Specdb::MsMs 2979116 Specdb::MsMs 2979117 Specdb::MsMs 2979118 131763526