1.0 2020-03-25 16:17:51 UTC 2020-05-21 16:27:45 UTC BMDB0096848 TG(18:0/18:1(9Z)/18:1(9Z)) 1,2-Di-(9Z)-octadecenoyl-3-octadecanoyl-sn-glycerol 3-(Stearoyloxy)propane-1,2-diyl (9Z,9'z)bis-octadec-9-enoate 3-(Stearoyloxy)propane-1,2-diyl (9Z,9'z)bis-octadec-9-enoic acid 1-Stearoyl-2-oleoyl-3-oleoyl-glycerol TAG(18:0/18:1/18:1) TAG(18:0/18:1n9/18:1n9) TAG(18:0/18:1W9/18:1W9) TAG(54:2) TG(18:0/18:1/18:1) TG(18:0/18:1n9/18:1n9) TG(18:0/18:1W9/18:1W9) TG(54:2) Tracylglycerol(18:0/18:1/18:1) Tracylglycerol(18:0/18:1n9/18:1n9) Tracylglycerol(18:0/18:1W9/18:1W9) Tracylglycerol(54:2) Triacylglycerol Triglyceride 1-Octadecanoyl-2-(9Z-octadecenoyl)-3-(9Z-octadecenoyl)-glycerol TG(18:0/18:1(9Z)/18:1(9Z)) C57H106O6 887.469 886.798941133 (2S)-1-[(9Z)-octadec-9-enoyloxy]-3-(octadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate (2S)-1-[(9Z)-octadec-9-enoyloxy]-3-(octadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,54H,4-24,26,29,31-53H2,1-3H3/b28-25-,30-27-/t54-/m1/s1 RYNHWWNZNIGDAQ-WNMJAFDRSA-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 triacyl-sn-glycerol logp 10.75 ALOGPS logs -8.07 ALOGPS logp 20.87 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(9Z)-octadec-9-enoyloxy]-3-(octadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate ChemAxon average_mass 887.469 ChemAxon mono_mass 886.798941133 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC ChemAxon formula C57H106O6 ChemAxon inchi InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,54H,4-24,26,29,31-53H2,1-3H3/b28-25-,30-27-/t54-/m1/s1 ChemAxon inchikey RYNHWWNZNIGDAQ-WNMJAFDRSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 271.13 ChemAxon polarizability 119 ChemAxon rotatable_bond_count 54 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 668257 Specdb::MsMs 668258 Specdb::MsMs 668259 Specdb::MsMs 2265060 Specdb::MsMs 2265061 Specdb::MsMs 2265062 Specdb::MsMs 2554291 Specdb::MsMs 2554292 Specdb::MsMs 2554293 Specdb::MsMs 2760218 Specdb::MsMs 2760219 Specdb::MsMs 2760220 Specdb::MsMs 2996741 Specdb::MsMs 2996742 Specdb::MsMs 2996743 Specdb::MsMs 3074445 Specdb::MsMs 3074446 Specdb::MsMs 3074447 7823132 16058372 77686 FDB023681 C00422 4913 Triacylglycerols BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme