1.0 2020-03-25 20:59:16 UTC 2020-05-21 16:27:39 UTC BMDB0099030 TG(16:0/18:4(6Z,9Z,12Z,15Z)/24:0) 1-Hexadecanoyl-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-3-tetracosanoyl-glycerol 1-Palmitoyl-2-stearidonoyl-3-lignoceroyl-glycerol TAG(16:0/18:4/24:0) TAG(58:4) TG(16:0/18:4/24:0) TG(58:4) Tracylglycerol(16:0/18:4/24:0) Tracylglycerol(58:4) Triacylglycerol Triglyceride TG(16:0/18:4(6Z,9Z,12Z,15Z)/24:0) C61H110O6 939.545 938.830241262 (2S)-3-(hexadecanoyloxy)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl tetracosanoate (2S)-3-(hexadecanoyloxy)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl tetracosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,33,40,43,58H,4-7,9-10,12-16,18-19,21-25,27-32,34-39,41-42,44-57H2,1-3H3/b11-8-,20-17-,33-26-,43-40-/t58-/m0/s1 JRPWNZDPXIIZOM-LPKUTSTHSA-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 10.91 ALOGPS logs -8.20 ALOGPS logp 21.92 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-(hexadecanoyloxy)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl tetracosanoate ChemAxon average_mass 939.545 ChemAxon mono_mass 938.830241262 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C61H110O6 ChemAxon inchi InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,33,40,43,58H,4-7,9-10,12-16,18-19,21-25,27-32,34-39,41-42,44-57H2,1-3H3/b11-8-,20-17-,33-26-,43-40-/t58-/m0/s1 ChemAxon inchikey JRPWNZDPXIIZOM-LPKUTSTHSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 291.77 ChemAxon polarizability 126.24 ChemAxon rotatable_bond_count 56 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 632323 Specdb::MsMs 632324 Specdb::MsMs 632325 Specdb::MsMs 949660 Specdb::MsMs 949661 Specdb::MsMs 949662 Specdb::MsMs 2454364 Specdb::MsMs 2454365 Specdb::MsMs 2454366 Specdb::MsMs 2483808 Specdb::MsMs 2483809 Specdb::MsMs 2483810 Specdb::MsMs 2565048 Specdb::MsMs 2565049 Specdb::MsMs 2565050 Specdb::MsMs 2745332 Specdb::MsMs 2745333 Specdb::MsMs 2745334 Specdb::MsMs 2779090 Specdb::MsMs 2779091 Specdb::MsMs 2779092 131755558 BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme