1.0 2020-03-05 04:34:38 UTC 2020-04-22 16:57:35 UTC BMDB0073656 BMDB73656 TG(i-22:0/i-24:0/21:0) 1-isodocosanoyl-2-isotetracosanoyl-3-heneicosyloyl-glycerol TG(i-22:0/i-24:0/21:0) TG(67:0) Tag(i-22:0/i-24:0/21:0) Tag(67:0) Triacylglycerol(i-22:0/i-24:0/21:0) Triacylglycerol(67:0) Triacylglycerol Triglyceride Tracylglycerol(i-22:0/i-24:0/21:0) Tracylglycerol(67:0) C70H136O6 1073.852 1073.033692099 (2R)-1-(henicosanoyloxy)-3-[(20-methylhenicosanoyl)oxy]propan-2-yl 22-methyltricosanoate (2R)-1-(henicosanoyloxy)-3-[(20-methylhenicosanoyl)oxy]propan-2-yl 22-methyltricosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C InChI=1S/C70H136O6/c1-6-7-8-9-10-11-12-13-14-15-19-25-30-35-40-45-50-55-60-68(71)74-63-67(64-75-69(72)61-56-51-46-41-36-31-26-22-21-24-29-34-39-44-49-54-59-66(4)5)76-70(73)62-57-52-47-42-37-32-27-20-17-16-18-23-28-33-38-43-48-53-58-65(2)3/h65-67H,6-64H2,1-5H3/t67-/m1/s1 DYUIPOVHYAMOIU-XQIOEBDSSA-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 10.41 ALOGPS logs -7.97 ALOGPS logp 27.06 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-(henicosanoyloxy)-3-[(20-methylhenicosanoyl)oxy]propan-2-yl 22-methyltricosanoate ChemAxon average_mass 1073.852 ChemAxon mono_mass 1073.033692099 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C ChemAxon formula C70H136O6 ChemAxon inchi InChI=1S/C70H136O6/c1-6-7-8-9-10-11-12-13-14-15-19-25-30-35-40-45-50-55-60-68(71)74-63-67(64-75-69(72)61-56-51-46-41-36-31-26-22-21-24-29-34-39-44-49-54-59-66(4)5)76-70(73)62-57-52-47-42-37-32-27-20-17-16-18-23-28-33-38-43-48-53-58-65(2)3/h65-67H,6-64H2,1-5H3/t67-/m1/s1 ChemAxon inchikey DYUIPOVHYAMOIU-XQIOEBDSSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 328.6 ChemAxon polarizability 149.5 ChemAxon rotatable_bond_count 67 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 634408 Specdb::MsMs 634409 Specdb::MsMs 634410 Specdb::MsMs 2474066 Specdb::MsMs 2474067 Specdb::MsMs 2474068 Specdb::MsMs 2491508 Specdb::MsMs 2491509 Specdb::MsMs 2491510 Specdb::MsMs 2500724 Specdb::MsMs 2500725 Specdb::MsMs 2500726 Specdb::MsMs 2718177 Specdb::MsMs 2718178 Specdb::MsMs 2718179 Specdb::MsMs 2816293 Specdb::MsMs 2816294 Specdb::MsMs 2816295 FDB042280