1.0 2020-03-07 13:06:56 UTC 2020-04-22 18:33:26 UTC BMDB0088784 BMDB88784 TG(a-17:0/21:0/a-21:0)[rac] 1-anteisoheptadecanoyl-2-heneicosyloyl-3-anteisoheneicosanoyl-glycerol TAG(59:0) Triacylglycerol TAG(a-17:0/21:0/a-21:0) Tracylglycerol(a-17:0/21:0/a-21:0) Triglyceride Tracylglycerol(59:0) TG(59:0) TG(a-17:0/21:0/a-21:0) TG(a-17:0/21:0/a-21:0)[rac] (2R)-1-[(14-Methylhexadecanoyl)oxy]-3-[(18-methylicosanoyl)oxy]propan-2-yl henicosanoic acid C62H120O6 961.636 960.908491584 (2R)-1-[(14-methylhexadecanoyl)oxy]-3-[(18-methylicosanoyl)oxy]propan-2-yl henicosanoate (2R)-1-[(14-methylhexadecanoyl)oxy]-3-[(18-methylicosanoyl)oxy]propan-2-yl henicosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC InChI=1S/C62H120O6/c1-6-9-10-11-12-13-14-15-16-17-18-19-24-27-34-39-44-49-54-62(65)68-59(56-67-61(64)53-48-43-38-33-29-28-31-36-41-46-51-58(5)8-3)55-66-60(63)52-47-42-37-32-26-23-21-20-22-25-30-35-40-45-50-57(4)7-2/h57-59H,6-56H2,1-5H3/t57?,58?,59-/m1/s1 PKQKEGZOEFERGA-MEIKJETISA-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 10.59 ALOGPS logs -7.93 ALOGPS logp 23.5 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-[(14-methylhexadecanoyl)oxy]-3-[(18-methylicosanoyl)oxy]propan-2-yl henicosanoate ChemAxon average_mass 961.636 ChemAxon mono_mass 960.908491584 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC ChemAxon formula C62H120O6 ChemAxon inchi InChI=1S/C62H120O6/c1-6-9-10-11-12-13-14-15-16-17-18-19-24-27-34-39-44-49-54-62(65)68-59(56-67-61(64)53-48-43-38-33-29-28-31-36-41-46-51-58(5)8-3)55-66-60(63)52-47-42-37-32-26-23-21-20-22-25-30-35-40-45-50-57(4)7-2/h57-59H,6-56H2,1-5H3/t57?,58?,59-/m1/s1 ChemAxon inchikey PKQKEGZOEFERGA-MEIKJETISA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 291.8 ChemAxon polarizability 131.86 ChemAxon rotatable_bond_count 59 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 243319 Specdb::MsMs 572632 Specdb::MsMs 572633 Specdb::MsMs 572634 Specdb::MsMs 2356701 Specdb::MsMs 2356702 Specdb::MsMs 2356703 Specdb::MsMs 2382158 Specdb::MsMs 2382159 Specdb::MsMs 2382160 Specdb::MsMs 2415469 Specdb::MsMs 2415470 Specdb::MsMs 2415471 Specdb::MsMs 2609696 Specdb::MsMs 2609697 Specdb::MsMs 2609698 Specdb::MsMs 2917796 Specdb::MsMs 2917797 Specdb::MsMs 2917798 FDB079224 74871301 131815513