1.0 2020-03-05 04:16:19 UTC 2020-04-22 16:55:52 UTC BMDB0073384 BMDB73384 TG(i-24:0/18:0/10:0) 1-isotetracosanoyl-2-stearoyl-3-decanoyl-glycerol TG(i-24:0/18:0/10:0) TG(52:0) Tag(i-24:0/18:0/10:0) Tag(52:0) Triacylglycerol(i-24:0/18:0/10:0) Triacylglycerol(52:0) Triacylglycerol Triglyceride 1-isotetracosanoyl-2-octadecanoyl-3-animal fats-glycerol Tracylglycerol(i-24:0/18:0/10:0) 1-isotetracosanoyl-2-stearoyl-3-decanoic acid-glycerol Tracylglycerol(52:0) C55H106O6 863.447 862.798941133 (2R)-3-(decanoyloxy)-2-(octadecanoyloxy)propyl 22-methyltricosanoate (2R)-3-(decanoyloxy)-2-(octadecanoyloxy)propyl 22-methyltricosanoate [H][C@@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC InChI=1S/C55H106O6/c1-5-7-9-11-13-14-15-16-21-26-29-32-36-40-44-48-55(58)61-52(49-59-53(56)46-42-38-33-12-10-8-6-2)50-60-54(57)47-43-39-35-31-28-25-23-20-18-17-19-22-24-27-30-34-37-41-45-51(3)4/h51-52H,5-50H2,1-4H3/t52-/m1/s1 XLGUFPFEEWHIMX-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)-3-(decanoyloxy)-2-(octadecanoyloxy)propyl 22-methyltricosanoate ChemAxon average_mass 863.447 ChemAxon mono_mass 862.798941133 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC ChemAxon formula C55H106O6 ChemAxon inchi InChI=1S/C55H106O6/c1-5-7-9-11-13-14-15-16-21-26-29-32-36-40-44-48-55(58)61-52(49-59-53(56)46-42-38-33-12-10-8-6-2)50-60-54(57)47-43-39-35-31-28-25-23-20-18-17-19-22-24-27-30-34-37-41-45-51(3)4/h51-52H,5-50H2,1-4H3/t52-/m1/s1 ChemAxon inchikey XLGUFPFEEWHIMX-OIVUAWODSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 259.64 ChemAxon polarizability 117.76 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 226549 Specdb::MsMs 653194 Specdb::MsMs 653195 Specdb::MsMs 653196 Specdb::MsMs 2594653 Specdb::MsMs 2594654 Specdb::MsMs 2594655 Specdb::MsMs 2670519 Specdb::MsMs 2670520 Specdb::MsMs 2670521 Specdb::MsMs 2766905 Specdb::MsMs 2766906 Specdb::MsMs 2766907 Specdb::MsMs 2912051 Specdb::MsMs 2912052 Specdb::MsMs 2912053 Specdb::MsMs 3074025 Specdb::MsMs 3074026 Specdb::MsMs 3074027 131777047 FDB042008