1.0 2020-03-25 16:16:16 UTC 2020-05-21 16:27:38 UTC BMDB0096829 TG(16:0/18:1(9Z)/20:0) 1-Palmitoyl-2-oleoyl-3-arachidonyl-glycerol TAG(16:0/18:1/20:0) TAG(16:0/18:1n9/20:0) TAG(16:0/18:1W9/20:0) TAG(54:1) TG(16:0/18:1/20:0) TG(16:0/18:1n9/20:0) TG(16:0/18:1W9/20:0) TG(54:1) Tracylglycerol(16:0/18:1/20:0) Tracylglycerol(16:0/18:1n9/20:0) Tracylglycerol(16:0/18:1W9/20:0) Tracylglycerol(54:1) Triacylglycerol Triglyceride 1-Hexadecanoyl-2-(9Z-octadecenoyl)-3-eicosanoyl-glycerol TG(16:0/18:1(9Z)/20:0) C57H108O6 889.485 888.814591198 (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl icosanoate (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl icosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h26,29,54H,4-25,27-28,30-53H2,1-3H3/b29-26-/t54-/m0/s1 YWKYRFUPKVVPAH-IBZYRLJDSA-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 10.74 ALOGPS logs -7.91 ALOGPS logp 21.23 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl icosanoate ChemAxon average_mass 889.485 ChemAxon mono_mass 888.814591198 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC ChemAxon formula C57H108O6 ChemAxon inchi InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h26,29,54H,4-25,27-28,30-53H2,1-3H3/b29-26-/t54-/m0/s1 ChemAxon inchikey YWKYRFUPKVVPAH-IBZYRLJDSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 270.01 ChemAxon polarizability 120.66 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 656206 Specdb::MsMs 656207 Specdb::MsMs 656208 Specdb::MsMs 959047 Specdb::MsMs 959048 Specdb::MsMs 959049 Specdb::MsMs 2441512 Specdb::MsMs 2441513 Specdb::MsMs 2441514 Specdb::MsMs 2715541 Specdb::MsMs 2715542 Specdb::MsMs 2715543 Specdb::MsMs 2842479 Specdb::MsMs 2842480 Specdb::MsMs 2842481 Specdb::MsMs 2862661 Specdb::MsMs 2862662 Specdb::MsMs 2862663 Specdb::MsMs 2966439 Specdb::MsMs 2966440 Specdb::MsMs 2966441 7823116 9544166 FDB023660 C00422 Triacylglycerols 4897 BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme