1.0 2020-03-07 16:36:11 UTC 2020-04-22 18:53:38 UTC BMDB0091979 BMDB91979 TG(i-19:0/18:0/15:0) 1-Isononadecanoyl-2-octadecanoyl-3-pentadecanoyl-glycerol Tracylglycerol(i-19:0/18:0/15:0) TG(52:0) 1-Isononadecanoyl-2-stearoyl-3-pentadecanoyl-glycerol Triacylglycerol TAG(52:0) Triglyceride TAG(i-19:0/18:0/15:0) Tracylglycerol(52:0) (2R)-2-(Octadecanoyloxy)-3-(pentadecanoyloxy)propyl 17-methyloctadecanoic acid TG(i-19:0/18:0/15:0) C55H106O6 863.447 862.798941133 (2R)-2-(octadecanoyloxy)-3-(pentadecanoyloxy)propyl 17-methyloctadecanoate (2R)-2-(octadecanoyloxy)-3-(pentadecanoyloxy)propyl 17-methyloctadecanoate [H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC InChI=1S/C55H106O6/c1-5-7-9-11-13-15-17-19-20-23-28-32-36-40-44-48-55(58)61-52(49-59-53(56)46-42-38-34-30-26-18-16-14-12-10-8-6-2)50-60-54(57)47-43-39-35-31-27-24-21-22-25-29-33-37-41-45-51(3)4/h51-52H,5-50H2,1-4H3/t52-/m1/s1 DAONXLUZHSWPJN-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 10.55 ALOGPS logs -7.89 ALOGPS logp 20.54 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-(octadecanoyloxy)-3-(pentadecanoyloxy)propyl 17-methyloctadecanoate ChemAxon average_mass 863.447 ChemAxon mono_mass 862.798941133 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC ChemAxon formula C55H106O6 ChemAxon inchi InChI=1S/C55H106O6/c1-5-7-9-11-13-15-17-19-20-23-28-32-36-40-44-48-55(58)61-52(49-59-53(56)46-42-38-34-30-26-18-16-14-12-10-8-6-2)50-60-54(57)47-43-39-35-31-27-24-21-22-25-29-33-37-41-45-51(3)4/h51-52H,5-50H2,1-4H3/t52-/m1/s1 ChemAxon inchikey DAONXLUZHSWPJN-OIVUAWODSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 259.64 ChemAxon polarizability 117.47 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::MsMs 569350 Specdb::MsMs 569351 Specdb::MsMs 569352 Specdb::MsMs 2417662 Specdb::MsMs 2417663 Specdb::MsMs 2417664 Specdb::MsMs 2698533 Specdb::MsMs 2698534 Specdb::MsMs 2698535 Specdb::MsMs 2952687 Specdb::MsMs 2952688 Specdb::MsMs 2952689 Specdb::MsMs 2983340 Specdb::MsMs 2983341 Specdb::MsMs 2983342 Specdb::MsMs 3081390 Specdb::MsMs 3081391 Specdb::MsMs 3081392 74874474 FDB082418 131818528