1.0 2020-03-07 07:59:40 UTC 2020-04-22 18:04:16 UTC BMDB0084158 BMDB84158 TG(i-15:0/i-20:0/i-16:0) 1-isopentadecanoyl-2-isoeicosanoyl-3-isohexadecanoyl-glycerol Tracylglycerol(i-15:0/i-20:0/i-16:0) Tracylglycerol(51:0) TG(51:0) Triacylglycerol TAG(i-15:0/i-20:0/i-16:0) Triglyceride TG(i-15:0/i-20:0/i-16:0) TAG(51:0) C54H104O6 849.42 848.783291069 (2R)-1-[(14-methylpentadecanoyl)oxy]-3-[(13-methyltetradecanoyl)oxy]propan-2-yl 18-methylnonadecanoate (2R)-1-[(14-methylpentadecanoyl)oxy]-3-[(13-methyltetradecanoyl)oxy]propan-2-yl 18-methylnonadecanoate [H][C@@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C InChI=1S/C54H104O6/c1-48(2)40-34-28-22-16-11-9-7-8-10-12-20-27-33-39-45-54(57)60-51(47-59-53(56)44-38-32-26-21-15-18-24-30-36-42-50(5)6)46-58-52(55)43-37-31-25-19-14-13-17-23-29-35-41-49(3)4/h48-51H,7-47H2,1-6H3/t51-/m1/s1 YUASWPMOSMLPSF-NLXJDERGSA-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 10.21 ALOGPS logs -7.93 ALOGPS logp 19.79 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-[(14-methylpentadecanoyl)oxy]-3-[(13-methyltetradecanoyl)oxy]propan-2-yl 18-methylnonadecanoate ChemAxon average_mass 849.42 ChemAxon mono_mass 848.783291069 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C ChemAxon formula C54H104O6 ChemAxon inchi InChI=1S/C54H104O6/c1-48(2)40-34-28-22-16-11-9-7-8-10-12-20-27-33-39-45-54(57)60-51(47-59-53(56)44-38-32-26-21-15-18-24-30-36-42-50(5)6)46-58-52(55)43-37-31-25-19-14-13-17-23-29-35-41-49(3)4/h48-51H,7-47H2,1-6H3/t51-/m1/s1 ChemAxon inchikey YUASWPMOSMLPSF-NLXJDERGSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 254.94 ChemAxon polarizability 114.78 ChemAxon rotatable_bond_count 50 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 216443 Specdb::MsMs 634654 Specdb::MsMs 634655 Specdb::MsMs 634656 Specdb::MsMs 2303355 Specdb::MsMs 2303356 Specdb::MsMs 2303357 Specdb::MsMs 2395332 Specdb::MsMs 2395333 Specdb::MsMs 2395334 Specdb::MsMs 2540867 Specdb::MsMs 2540868 Specdb::MsMs 2540869 Specdb::MsMs 2583899 Specdb::MsMs 2583900 Specdb::MsMs 2583901 Specdb::MsMs 3053951 Specdb::MsMs 3053952 Specdb::MsMs 3053953 FDB074595 74866716 131810922