1.0 2020-03-06 03:46:26 UTC 2020-04-22 17:05:33 UTC BMDB0074915 BMDB74915 TG(10:0/19:0/20:0) 1-decanoyl-2-nonadecyloyl-3-arachidoyl-glycerol TG(49:0) Tag(10:0/19:0/20:0) Tag(49:0) Triacylglycerol(10:0/19:0/20:0) Triacylglycerol(49:0) Triacylglycerol Triglyceride TG(10:0/19:0/20:0) 1-animal fats-2-nonadecanoyl-3-eicosanoyl-glycerol Triacylglycerol TAG(10:0/19:0/20:0) 1-decanoic acid-2-nonadecanoyl-3-arachidonyl-glycerol Tracylglycerol(49:0) TAG(49:0) TG(49:0) Tracylglycerol(10:0/19:0/20:0) C52H100O6 821.366 820.75199094 (2S)-3-(decanoyloxy)-2-(nonadecanoyloxy)propyl icosanoate (2S)-3-(decanoyloxy)-2-(nonadecanoyloxy)propyl icosanoate [H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC InChI=1S/C52H100O6/c1-4-7-10-13-16-18-20-22-24-26-28-29-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-15-12-9-6-3)58-52(55)46-43-40-37-34-32-30-27-25-23-21-19-17-14-11-8-5-2/h49H,4-48H2,1-3H3/t49-/m0/s1 YAQOMFDULBPXDR-GGCSAXROSA-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 10.64 ALOGPS logs -7.87 ALOGPS logp 19.37 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-(decanoyloxy)-2-(nonadecanoyloxy)propyl icosanoate ChemAxon average_mass 821.366 ChemAxon mono_mass 820.75199094 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC ChemAxon formula C52H100O6 ChemAxon inchi InChI=1S/C52H100O6/c1-4-7-10-13-16-18-20-22-24-26-28-29-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-15-12-9-6-3)58-52(55)46-43-40-37-34-32-30-27-25-23-21-19-17-14-11-8-5-2/h49H,4-48H2,1-3H3/t49-/m0/s1 ChemAxon inchikey YAQOMFDULBPXDR-GGCSAXROSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 245.89 ChemAxon polarizability 111.3 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::MsMs 562360 Specdb::MsMs 562361 Specdb::MsMs 562362 Specdb::MsMs 2399112 Specdb::MsMs 2399113 Specdb::MsMs 2399114 Specdb::MsMs 2536145 Specdb::MsMs 2536146 Specdb::MsMs 2536147 Specdb::MsMs 2619194 Specdb::MsMs 2619195 Specdb::MsMs 2619196 Specdb::MsMs 2619878 Specdb::MsMs 2619879 Specdb::MsMs 2619880 Specdb::MsMs 2724896 Specdb::MsMs 2724897 Specdb::MsMs 2724898 131778345 FDB043541