1.0 2020-03-07 15:19:43 UTC 2020-04-22 18:46:12 UTC BMDB0090801 BMDB90801 TG(18:0/i-24:0/10:0) 1-octadecanoyl-2-isotetracosanoyl-3-animal fats-glycerol TAG(18:0/i-24:0/10:0) Tracylglycerol(18:0/i-24:0/10:0) TG(52:0) 1-stearoyl-2-isotetracosanoyl-3-decanoic acid-glycerol Triacylglycerol TG(18:0/i-24:0/10:0) TAG(52:0) Triglyceride Tracylglycerol(52:0) (2R)-1-(Decanoyloxy)-3-(octadecanoyloxy)propan-2-yl 22-methyltricosanoic acid C55H106O6 863.447 862.798941133 (2R)-1-(decanoyloxy)-3-(octadecanoyloxy)propan-2-yl 22-methyltricosanoate (2R)-1-(decanoyloxy)-3-(octadecanoyloxy)propan-2-yl 22-methyltricosanoate [H][C@@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C InChI=1S/C55H106O6/c1-5-7-9-11-13-14-15-16-21-25-28-31-35-39-43-47-54(57)60-50-52(49-59-53(56)46-42-38-33-12-10-8-6-2)61-55(58)48-44-40-36-32-29-26-23-20-18-17-19-22-24-27-30-34-37-41-45-51(3)4/h51-52H,5-50H2,1-4H3/t52-/m1/s1 SOEYWJGCXCYXDY-OIVUAWODSA-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 10.58 ALOGPS logs -7.89 ALOGPS logp 20.54 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-(decanoyloxy)-3-(octadecanoyloxy)propan-2-yl 22-methyltricosanoate ChemAxon average_mass 863.447 ChemAxon mono_mass 862.798941133 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C ChemAxon formula C55H106O6 ChemAxon inchi InChI=1S/C55H106O6/c1-5-7-9-11-13-14-15-16-21-25-28-31-35-39-43-47-54(57)60-50-52(49-59-53(56)46-42-38-33-12-10-8-6-2)61-55(58)48-44-40-36-32-29-26-23-20-18-17-19-22-24-27-30-34-37-41-45-51(3)4/h51-52H,5-50H2,1-4H3/t52-/m1/s1 ChemAxon inchikey SOEYWJGCXCYXDY-OIVUAWODSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 259.64 ChemAxon polarizability 117.86 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::CMs 192042 Specdb::MsMs 580849 Specdb::MsMs 580850 Specdb::MsMs 580851 Specdb::MsMs 2465985 Specdb::MsMs 2465986 Specdb::MsMs 2465987 Specdb::MsMs 2477798 Specdb::MsMs 2477799 Specdb::MsMs 2477800 Specdb::MsMs 2495690 Specdb::MsMs 2495691 Specdb::MsMs 2495692 Specdb::MsMs 2610962 Specdb::MsMs 2610963 Specdb::MsMs 2610964 Specdb::MsMs 2715994 Specdb::MsMs 2715995 Specdb::MsMs 2715996 FDB081240 74873301 131817499