1.0 2020-03-07 08:03:50 UTC 2020-04-22 18:04:40 UTC BMDB0084222 BMDB84222 TG(a-15:0/i-20:0/a-21:0)[rac] 1-anteisopentadecanoyl-2-isoeicosanoyl-3-anteisoheneicosanoyl-glycerol Tracylglycerol(56:0) Triacylglycerol TAG(a-15:0/i-20:0/a-21:0) Triglyceride TG(a-15:0/i-20:0/a-21:0)[rac] TAG(56:0) TG(a-15:0/i-20:0/a-21:0) Tracylglycerol(a-15:0/i-20:0/a-21:0) TG(56:0) C59H114O6 919.555 918.861541391 (2R)-2-[(18-methylnonadecanoyl)oxy]-3-[(12-methyltetradecanoyl)oxy]propyl 18-methylicosanoate (2R)-2-[(18-methylnonadecanoyl)oxy]-3-[(12-methyltetradecanoyl)oxy]propyl 18-methylicosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)C InChI=1S/C59H114O6/c1-7-54(5)46-40-34-28-22-18-14-10-12-15-19-23-30-36-42-48-57(60)63-51-56(52-64-58(61)49-43-37-31-26-25-29-35-41-47-55(6)8-2)65-59(62)50-44-38-32-24-20-16-11-9-13-17-21-27-33-39-45-53(3)4/h53-56H,7-52H2,1-6H3/t54?,55?,56-/m1/s1 LAUSIHLHJUIMGP-IQQFNZCHSA-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 10.48 ALOGPS logs -7.95 ALOGPS logp 22.01 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-[(18-methylnonadecanoyl)oxy]-3-[(12-methyltetradecanoyl)oxy]propyl 18-methylicosanoate ChemAxon average_mass 919.555 ChemAxon mono_mass 918.861541391 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)C ChemAxon formula C59H114O6 ChemAxon inchi InChI=1S/C59H114O6/c1-7-54(5)46-40-34-28-22-18-14-10-12-15-19-23-30-36-42-48-57(60)63-51-56(52-64-58(61)49-43-37-31-26-25-29-35-41-47-55(6)8-2)65-59(62)50-44-38-32-24-20-16-11-9-13-17-21-27-33-39-45-53(3)4/h53-56H,7-52H2,1-6H3/t54?,55?,56-/m1/s1 ChemAxon inchikey LAUSIHLHJUIMGP-IQQFNZCHSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 277.94 ChemAxon polarizability 125.13 ChemAxon rotatable_bond_count 55 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 620542 Specdb::MsMs 620543 Specdb::MsMs 620544 Specdb::MsMs 2374188 Specdb::MsMs 2374189 Specdb::MsMs 2374190 Specdb::MsMs 2779438 Specdb::MsMs 2779439 Specdb::MsMs 2779440 Specdb::MsMs 2826523 Specdb::MsMs 2826524 Specdb::MsMs 2826525 Specdb::MsMs 2903010 Specdb::MsMs 2903011 Specdb::MsMs 2903012 Specdb::MsMs 2903160 Specdb::MsMs 2903161 Specdb::MsMs 2903162 FDB074659 74866780 131810986