1.0 2020-03-05 03:36:56 UTC 2020-04-22 16:52:07 UTC BMDB0072791 BMDB72791 TG(i-22:0/i-24:0/i-19:0) 1-isodocosanoyl-2-isotetracosanoyl-3-isononadecanoyl-glycerol TG(i-22:0/i-24:0/i-19:0) TG(65:0) Tag(i-22:0/i-24:0/i-19:0) Tag(65:0) Triacylglycerol(i-22:0/i-24:0/i-19:0) Triacylglycerol(65:0) Triacylglycerol Triglyceride Tracylglycerol(i-22:0/i-24:0/i-19:0) Tracylglycerol(65:0) C68H132O6 1045.798 1045.00239197 (2S)-1-[(20-methylhenicosanoyl)oxy]-3-[(17-methyloctadecanoyl)oxy]propan-2-yl 22-methyltricosanoate (2S)-1-[(20-methylhenicosanoyl)oxy]-3-[(17-methyloctadecanoyl)oxy]propan-2-yl 22-methyltricosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C InChI=1S/C68H132O6/c1-62(2)54-48-42-36-30-24-18-13-9-7-8-10-16-22-29-35-41-47-53-59-68(71)74-65(61-73-67(70)58-52-46-40-34-28-23-17-20-26-32-38-44-50-56-64(5)6)60-72-66(69)57-51-45-39-33-27-21-15-12-11-14-19-25-31-37-43-49-55-63(3)4/h62-65H,7-61H2,1-6H3/t65-/m0/s1 OPIRAZGLUGFJQM-FZWUFXCXSA-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 10.31 ALOGPS logs -7.98 ALOGPS logp 26.01 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(20-methylhenicosanoyl)oxy]-3-[(17-methyloctadecanoyl)oxy]propan-2-yl 22-methyltricosanoate ChemAxon average_mass 1045.798 ChemAxon mono_mass 1045.00239197 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C ChemAxon formula C68H132O6 ChemAxon inchi InChI=1S/C68H132O6/c1-62(2)54-48-42-36-30-24-18-13-9-7-8-10-16-22-29-35-41-47-53-59-68(71)74-65(61-73-67(70)58-52-46-40-34-28-23-17-20-26-32-38-44-50-56-64(5)6)60-72-66(69)57-51-45-39-33-27-21-15-12-11-14-19-25-31-37-43-49-55-63(3)4/h62-65H,7-61H2,1-6H3/t65-/m0/s1 ChemAxon inchikey OPIRAZGLUGFJQM-FZWUFXCXSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 319.35 ChemAxon polarizability 144.96 ChemAxon rotatable_bond_count 64 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 196519 Specdb::MsMs 682636 Specdb::MsMs 682637 Specdb::MsMs 682638 Specdb::MsMs 2315177 Specdb::MsMs 2315178 Specdb::MsMs 2315179 Specdb::MsMs 2453479 Specdb::MsMs 2453480 Specdb::MsMs 2453481 Specdb::MsMs 2484681 Specdb::MsMs 2484682 Specdb::MsMs 2484683 Specdb::MsMs 3066113 Specdb::MsMs 3066114 Specdb::MsMs 3066115 Specdb::MsMs 3115722 Specdb::MsMs 3115723 Specdb::MsMs 3115724 131776569 FDB041417