1.0 2020-03-07 15:33:57 UTC 2020-04-22 18:47:33 UTC BMDB0091015 BMDB91015 TG(19:0/19:0/10:0) 1-nonadecanoyl-2-nonadecanoyl-3-animal fats-glycerol Triacylglycerol TG(19:0/19:0/10:0) TG(48:0) Triglyceride Tracylglycerol(48:0) 1-nonadecanoyl-2-nonadecanoyl-3-decanoic acid-glycerol Tracylglycerol(19:0/19:0/10:0) TAG(19:0/19:0/10:0) TAG(48:0) (2R)-1-(Decanoyloxy)-3-(nonadecanoyloxy)propan-2-yl nonadecanoic acid C51H98O6 807.339 806.736340876 (2R)-1-(decanoyloxy)-3-(nonadecanoyloxy)propan-2-yl nonadecanoate (2R)-1-(decanoyloxy)-3-(nonadecanoyloxy)propan-2-yl nonadecanoate [H][C@@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC InChI=1S/C51H98O6/c1-4-7-10-13-16-18-20-22-24-26-28-30-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-15-12-9-6-3)57-51(54)45-42-39-36-33-31-29-27-25-23-21-19-17-14-11-8-5-2/h48H,4-47H2,1-3H3/t48-/m1/s1 NEECXGJYGMHBSA-QSCHNALKSA-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 10.61 ALOGPS logs -7.85 ALOGPS logp 18.92 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-(decanoyloxy)-3-(nonadecanoyloxy)propan-2-yl nonadecanoate ChemAxon average_mass 807.339 ChemAxon mono_mass 806.736340876 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC ChemAxon formula C51H98O6 ChemAxon inchi InChI=1S/C51H98O6/c1-4-7-10-13-16-18-20-22-24-26-28-30-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-15-12-9-6-3)57-51(54)45-42-39-36-33-31-29-27-25-23-21-19-17-14-11-8-5-2/h48H,4-47H2,1-3H3/t48-/m1/s1 ChemAxon inchikey NEECXGJYGMHBSA-QSCHNALKSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 241.29 ChemAxon polarizability 109.4 ChemAxon rotatable_bond_count 50 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 237591 Specdb::MsMs 567862 Specdb::MsMs 567863 Specdb::MsMs 567864 Specdb::MsMs 2323951 Specdb::MsMs 2323952 Specdb::MsMs 2323953 Specdb::MsMs 2338291 Specdb::MsMs 2338292 Specdb::MsMs 2338293 Specdb::MsMs 2669833 Specdb::MsMs 2669834 Specdb::MsMs 2669835 Specdb::MsMs 2966733 Specdb::MsMs 2966734 Specdb::MsMs 2966735 Specdb::MsMs 3009493 Specdb::MsMs 3009494 Specdb::MsMs 3009495 FDB081454 74873515 131817706 171534