1.0 2020-03-07 13:32:42 UTC 2020-04-22 18:35:54 UTC BMDB0089175 BMDB89175 TG(a-17:0/a-25:0/a-21:0)[rac] 1-anteisoheptadecanoyl-2-anteisopentacosanoyl-3-anteisoheneicosanoyl-glycerol Tracylglycerol(63:0) TAG(a-17:0/a-25:0/a-21:0) TG(a-17:0/a-25:0/a-21:0) Triglyceride Triacylglycerol Tracylglycerol(a-17:0/a-25:0/a-21:0) TG(63:0) TAG(63:0) TG(a-17:0/a-25:0/a-21:0)[rac] (2R)-1-[(14-Methylhexadecanoyl)oxy]-3-[(18-methylicosanoyl)oxy]propan-2-yl 22-methyltetracosanoic acid C66H128O6 1017.744 1016.971091842 (2R)-1-[(14-methylhexadecanoyl)oxy]-3-[(18-methylicosanoyl)oxy]propan-2-yl 22-methyltetracosanoate (2R)-1-[(14-methylhexadecanoyl)oxy]-3-[(18-methylicosanoyl)oxy]propan-2-yl 22-methyltetracosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC InChI=1S/C66H128O6/c1-7-60(4)52-46-40-34-28-22-18-14-12-10-11-13-15-21-25-33-39-45-51-57-66(69)72-63(59-71-65(68)56-50-44-38-32-27-26-30-36-42-48-54-62(6)9-3)58-70-64(67)55-49-43-37-31-24-20-17-16-19-23-29-35-41-47-53-61(5)8-2/h60-63H,7-59H2,1-6H3/t60?,61?,62?,63-/m1/s1 ZDIYOWWACVSCGJ-SSYCTKRYSA-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 10.50 ALOGPS logs -7.97 ALOGPS logp 25.12 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-[(14-methylhexadecanoyl)oxy]-3-[(18-methylicosanoyl)oxy]propan-2-yl 22-methyltetracosanoate ChemAxon average_mass 1017.744 ChemAxon mono_mass 1016.971091842 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC ChemAxon formula C66H128O6 ChemAxon inchi InChI=1S/C66H128O6/c1-7-60(4)52-46-40-34-28-22-18-14-12-10-11-13-15-21-25-33-39-45-51-57-66(69)72-63(59-71-65(68)56-50-44-38-32-27-26-30-36-42-48-54-62(6)9-3)58-70-64(67)55-49-43-37-31-24-20-17-16-19-23-29-35-41-47-53-61(5)8-2/h60-63H,7-59H2,1-6H3/t60?,61?,62?,63-/m1/s1 ChemAxon inchikey ZDIYOWWACVSCGJ-SSYCTKRYSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 310.15 ChemAxon polarizability 140.08 ChemAxon rotatable_bond_count 62 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 242661 Specdb::MsMs 589405 Specdb::MsMs 589406 Specdb::MsMs 589407 Specdb::MsMs 2266815 Specdb::MsMs 2266816 Specdb::MsMs 2266817 Specdb::MsMs 2352688 Specdb::MsMs 2352689 Specdb::MsMs 2352690 Specdb::MsMs 2355108 Specdb::MsMs 2355109 Specdb::MsMs 2355110 Specdb::MsMs 2607933 Specdb::MsMs 2607934 Specdb::MsMs 2607935 Specdb::MsMs 2990693 Specdb::MsMs 2990694 Specdb::MsMs 2990695 FDB079614 131815904