1.0 2020-03-26 09:37:53 UTC 2020-05-21 16:27:55 UTC BMDB0106796 TG(18:3(6Z,9Z,12Z)/20:2n6/20:4(5Z,8Z,11Z,14Z)) 1-(6Z,9Z,12Z-Octadecatrienoyl)-2-(11Z,14Z-eicosadienoyl)-3-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-glycerol 1-g-Linolenoyl-2-eicosadienoyl-3-arachidonoyl-glycerol TAG(18:3/20:2/20:4) TAG(18:3/20:2n6/20:4) TAG(18:3/20:2W6/20:4) TAG(58:9) TG(18:3/20:2/20:4) TG(18:3/20:2n6/20:4) TG(18:3/20:2W6/20:4) TG(58:9) Tracylglycerol(18:3/20:2/20:4) Tracylglycerol(18:3/20:2n6/20:4) Tracylglycerol(18:3/20:2W6/20:4) Tracylglycerol(58:9) Triacylglycerol Triglyceride 1-gamma-Linolenoyl-2-eicosadienoyl-3-arachidonoyl-glycerol TG(18:3n6/20:2n6/20:4n6) TG(18:3W6/20:2W6/20:4W6) Tag(18:3(6Z,9Z,12Z)/20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) Tag(18:3n6/20:2n6/20:4n6) Tag(18:3W6/20:2W6/20:4W6) Triacylglycerol(18:3(6Z,9Z,12Z)/20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) Triacylglycerol(18:3/20:2/20:4) Triacylglycerol(18:3n6/20:2n6/20:4n6) Triacylglycerol(18:3W6/20:2W6/20:4W6) Triacylglycerol(58:9) TG(18:3(6Z,9Z,12Z)/20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) TG(18:3(6Z,9Z,12Z)/20:2n6/20:4(5Z,8Z,11Z,14Z)) C61H100O6 929.465 928.75199094 (2S)-2-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate (2S)-2-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate [H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32-33,36,38,41-42,45,58H,4-15,22-24,30-31,34-35,37,39-40,43-44,46-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,41-38-,45-42-/t58-/m0/s1 JQIHVESIEXWFQR-BRNYSXPJSA-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 10.39 ALOGPS logs -8.31 ALOGPS logp 20.11 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate ChemAxon average_mass 929.465 ChemAxon mono_mass 928.75199094 ChemAxon smiles [H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC ChemAxon formula C61H100O6 ChemAxon inchi InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,32-33,36,38,41-42,45,58H,4-15,22-24,30-31,34-35,37,39-40,43-44,46-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,41-38-,45-42-/t58-/m0/s1 ChemAxon inchikey JQIHVESIEXWFQR-BRNYSXPJSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 297.35 ChemAxon polarizability 117.87 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 608545 Specdb::MsMs 608546 Specdb::MsMs 608547 Specdb::MsMs 939970 Specdb::MsMs 939971 Specdb::MsMs 939972 Specdb::MsMs 2399931 Specdb::MsMs 2399932 Specdb::MsMs 2399933 Specdb::MsMs 2725946 Specdb::MsMs 2725947 Specdb::MsMs 2725948 Specdb::MsMs 2930259 Specdb::MsMs 2930260 Specdb::MsMs 2930261 Specdb::MsMs 2950248 Specdb::MsMs 2950249 Specdb::MsMs 2950250 Specdb::MsMs 2956734 Specdb::MsMs 2956735 Specdb::MsMs 2956736 131763736 BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme