1.0 2020-03-07 15:34:28 UTC 2020-04-22 18:47:36 UTC BMDB0091023 BMDB91023 TG(i-19:0/10:0/21:0) 1-isononadecanoyl-2-animal fats-3-heneicosyloyl-glycerol 1-isononadecanoyl-2-decanoic acid-3-heneicosyloyl-glycerol TAG(i-19:0/10:0/21:0) Triacylglycerol Tracylglycerol(i-19:0/10:0/21:0) TG(i-19:0/10:0/21:0) Triglyceride TG(50:0) Tracylglycerol(50:0) TAG(50:0) (2R)-2-(Decanoyloxy)-3-[(17-methyloctadecanoyl)oxy]propyl henicosanoic acid C53H102O6 835.393 834.767641004 (2R)-2-(decanoyloxy)-3-[(17-methyloctadecanoyl)oxy]propyl henicosanoate (2R)-2-(decanoyloxy)-3-[(17-methyloctadecanoyl)oxy]propyl henicosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC InChI=1S/C53H102O6/c1-5-7-9-11-13-14-15-16-17-18-19-20-23-26-29-33-36-40-44-51(54)57-47-50(59-53(56)46-42-38-31-12-10-8-6-2)48-58-52(55)45-41-37-34-30-27-24-21-22-25-28-32-35-39-43-49(3)4/h49-50H,5-48H2,1-4H3/t50-/m1/s1 BEIVLQHETGHSBN-VCZQVZGSSA-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 10.53 ALOGPS logs -7.88 ALOGPS logp 19.66 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-(decanoyloxy)-3-[(17-methyloctadecanoyl)oxy]propyl henicosanoate ChemAxon average_mass 835.393 ChemAxon mono_mass 834.767641004 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC ChemAxon formula C53H102O6 ChemAxon inchi InChI=1S/C53H102O6/c1-5-7-9-11-13-14-15-16-17-18-19-20-23-26-29-33-36-40-44-51(54)57-47-50(59-53(56)46-42-38-31-12-10-8-6-2)48-58-52(55)45-41-37-34-30-27-24-21-22-25-28-32-35-39-43-49(3)4/h49-50H,5-48H2,1-4H3/t50-/m1/s1 ChemAxon inchikey BEIVLQHETGHSBN-VCZQVZGSSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 250.44 ChemAxon polarizability 113.53 ChemAxon rotatable_bond_count 51 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 219536 Specdb::MsMs 663193 Specdb::MsMs 663194 Specdb::MsMs 663195 Specdb::MsMs 2281306 Specdb::MsMs 2281307 Specdb::MsMs 2281308 Specdb::MsMs 2564022 Specdb::MsMs 2564023 Specdb::MsMs 2564024 Specdb::MsMs 2750581 Specdb::MsMs 2750582 Specdb::MsMs 2750583 Specdb::MsMs 2776343 Specdb::MsMs 2776344 Specdb::MsMs 2776345 Specdb::MsMs 2927893 Specdb::MsMs 2927894 Specdb::MsMs 2927895 FDB081462 74873523 131817713