1.0 2020-03-25 16:20:25 UTC 2020-05-21 16:27:42 UTC BMDB0096878 TG(16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) 1-Palmitoleoyl-2-palmitoleoyl-3-arachidonoyl-glycerol TAG(16:1/16:1/20:4) TAG(16:1n7/16:1n7/20:4n6) TAG(16:1W7/16:1W7/20:4W6) TAG(52:6) TG(16:1/16:1/20:4) TG(16:1n7/16:1n7/20:4n6) TG(16:1W7/16:1W7/20:4W6) TG(52:6) Tracylglycerol(16:1/16:1/20:4) Tracylglycerol(16:1n7/16:1n7/20:4n6) Tracylglycerol(16:1W7/16:1W7/20:4W6) Tracylglycerol(52:6) Triacylglycerol Triglyceride 1-(9Z-Hexadecenoyl)-2-(9Z-hexadecenoyl)-3-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-glycerol TG(16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) C55H94O6 851.351 850.705040747 (2S)-2,3-bis[(9Z)-hexadec-9-enoyloxy]propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate (2S)-2,3-bis[(9Z)-hexadec-9-enoyloxy]propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate [H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h16,19-21,23-26,28,31,36,39,52H,4-15,17-18,22,27,29-30,32-35,37-38,40-51H2,1-3H3/b19-16-,23-20-,24-21-,26-25-,31-28-,39-36-/t52-/m0/s1 SWYCMJAKZYLTJN-FHYREDOXSA-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 10.60 ALOGPS logs -8.07 ALOGPS logp 18.53 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2,3-bis[(9Z)-hexadec-9-enoyloxy]propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate ChemAxon average_mass 851.351 ChemAxon mono_mass 850.705040747 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC ChemAxon formula C55H94O6 ChemAxon inchi InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h16,19-21,23-26,28,31,36,39,52H,4-15,17-18,22,27,29-30,32-35,37-38,40-51H2,1-3H3/b19-16-,23-20-,24-21-,26-25-,31-28-,39-36-/t52-/m0/s1 ChemAxon inchikey SWYCMJAKZYLTJN-FHYREDOXSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 266.39 ChemAxon polarizability 108.85 ChemAxon rotatable_bond_count 48 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 657760 Specdb::MsMs 657761 Specdb::MsMs 657762 Specdb::MsMs 959719 Specdb::MsMs 959720 Specdb::MsMs 959721 Specdb::MsMs 2429029 Specdb::MsMs 2429030 Specdb::MsMs 2429031 Specdb::MsMs 2455704 Specdb::MsMs 2455705 Specdb::MsMs 2455706 Specdb::MsMs 2507224 Specdb::MsMs 2507225 Specdb::MsMs 2507226 Specdb::MsMs 2573890 Specdb::MsMs 2573891 Specdb::MsMs 2573892 Specdb::MsMs 2780182 Specdb::MsMs 2780183 Specdb::MsMs 2780184 7823129 9544179 FDB023712 C00422 Triacylglycerols BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme