1.0 2020-03-04 20:45:45 UTC 2020-04-22 16:33:22 UTC BMDB0069835 BMDB69835 TG(21:0/20:0/22:0) 1-heneicosyloyl-2-arachidoyl-3-behenoyl-glycerol TG(63:0) Tag(21:0/20:0/22:0) Tag(63:0) Triacylglycerol(21:0/20:0/22:0) Triacylglycerol(63:0) Triacylglycerol Triglyceride TG(21:0/20:0/22:0) 1-heneicosyloyl-2-eicosanoyl-3-docosanoyl-glycerol Tracylglycerol(63:0) Triacylglycerol Tracylglycerol(21:0/20:0/22:0) TG(63:0) TAG(63:0) 1-heneicosyloyl-2-arachidonyl-3-behenoyl-glycerol TAG(21:0/20:0/22:0) C66H128O6 1017.744 1016.971091842 (2S)-3-(henicosanoyloxy)-2-(icosanoyloxy)propyl docosanoate (2S)-3-(henicosanoyloxy)-2-(icosanoyloxy)propyl docosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC InChI=1S/C66H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-63(72-66(69)60-57-54-51-48-45-42-39-34-30-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h63H,4-62H2,1-3H3/t63-/m0/s1 RYUJMSAQSVATGI-VGRRCQLWSA-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 10.65 ALOGPS logs -7.95 ALOGPS logp 25.59 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-(henicosanoyloxy)-2-(icosanoyloxy)propyl docosanoate ChemAxon average_mass 1017.744 ChemAxon mono_mass 1016.971091842 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC ChemAxon formula C66H128O6 ChemAxon inchi InChI=1S/C66H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-63(72-66(69)60-57-54-51-48-45-42-39-34-30-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h63H,4-62H2,1-3H3/t63-/m0/s1 ChemAxon inchikey RYUJMSAQSVATGI-VGRRCQLWSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 310.31 ChemAxon polarizability 141.43 ChemAxon rotatable_bond_count 65 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 206496 Specdb::MsMs 651058 Specdb::MsMs 651059 Specdb::MsMs 651060 Specdb::MsMs 2536040 Specdb::MsMs 2536041 Specdb::MsMs 2536042 Specdb::MsMs 2637724 Specdb::MsMs 2637725 Specdb::MsMs 2637726 Specdb::MsMs 2718681 Specdb::MsMs 2718682 Specdb::MsMs 2718683 Specdb::MsMs 2962845 Specdb::MsMs 2962846 Specdb::MsMs 2962847 Specdb::MsMs 3097363 Specdb::MsMs 3097364 Specdb::MsMs 3097365 FDB038480