1.0 2020-03-25 16:18:05 UTC 2020-05-21 16:27:46 UTC BMDB0096851 TG(18:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) 1-Stearoyl-2-oleoyl-3-arachidonoyl-glycerol TAG(18:0/18:1/20:4) TAG(18:0/18:1n9/20:4n6) TAG(18:0/18:1W9/20:4W6) TAG(56:5) TG(18:0/18:1/20:4) TG(18:0/18:1n9/20:4n6) TG(18:0/18:1W9/20:4W6) TG(56:5) Tracylglycerol(18:0/18:1/20:4) Tracylglycerol(18:0/18:1n9/20:4n6) Tracylglycerol(18:0/18:1W9/20:4W6) Tracylglycerol(56:5) Triacylglycerol Triglyceride 1-Octadecanoyl-2-(9Z-octadecenoyl)-3-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-glycerol TG(18:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) C59H104O6 909.475 908.783291069 (2S)-2-[(9Z)-octadec-9-enoyloxy]-3-(octadecanoyloxy)propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate (2S)-2-[(9Z)-octadec-9-enoyloxy]-3-(octadecanoyloxy)propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,31-32,34,40,43,56H,4-15,17-18,20-24,26,29-30,33,35-39,41-42,44-55H2,1-3H3/b19-16-,28-25-,31-27-,34-32-,43-40-/t56-/m0/s1 ASJIHHXZZYYSQG-UGJDJQRKSA-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 -8.17 ALOGPS logp 20.67 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(9Z)-octadec-9-enoyloxy]-3-(octadecanoyloxy)propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate ChemAxon average_mass 909.475 ChemAxon mono_mass 908.783291069 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC ChemAxon formula C59H104O6 ChemAxon inchi InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h16,19,25,27-28,31-32,34,40,43,56H,4-15,17-18,20-24,26,29-30,33,35-39,41-42,44-55H2,1-3H3/b19-16-,28-25-,31-27-,34-32-,43-40-/t56-/m0/s1 ChemAxon inchikey ASJIHHXZZYYSQG-UGJDJQRKSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 283.68 ChemAxon polarizability 119.64 ChemAxon rotatable_bond_count 53 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 655474 Specdb::MsMs 655475 Specdb::MsMs 655476 Specdb::MsMs 2292012 Specdb::MsMs 2292013 Specdb::MsMs 2292014 Specdb::MsMs 2437750 Specdb::MsMs 2437751 Specdb::MsMs 2437752 Specdb::MsMs 2527935 Specdb::MsMs 2527936 Specdb::MsMs 2527937 Specdb::MsMs 2584124 Specdb::MsMs 2584125 Specdb::MsMs 2584126 Specdb::MsMs 2689433 Specdb::MsMs 2689434 Specdb::MsMs 2689435 7823527 9544577 FDB023684 C00422 Triacylglycerols BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme