1.0 2020-03-07 12:45:08 UTC 2020-04-22 18:31:20 UTC BMDB0088451 BMDB88451 TG(a-17:0/i-20:0/14:0)[rac] 1-anteisoheptadecanoyl-2-isoeicosanoyl-3-tetradecanoyl-glycerol Tracylglycerol(51:0) TG(51:0) Triacylglycerol Tracylglycerol(a-17:0/i-20:0/14:0) 1-anteisoheptadecanoyl-2-isoeicosanoyl-3-myristoyl-glycerol Triglyceride TG(a-17:0/i-20:0/14:0)[rac] TAG(a-17:0/i-20:0/14:0) TAG(51:0) TG(a-17:0/i-20:0/14:0) (2R)-1-[(14-Methylhexadecanoyl)oxy]-3-(tetradecanoyloxy)propan-2-yl 18-methylnonadecanoic acid C54H104O6 849.42 848.783291069 (2R)-1-[(14-methylhexadecanoyl)oxy]-3-(tetradecanoyloxy)propan-2-yl 18-methylnonadecanoate (2R)-1-[(14-methylhexadecanoyl)oxy]-3-(tetradecanoyloxy)propan-2-yl 18-methylnonadecanoate [H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)C InChI=1S/C54H104O6/c1-6-8-9-10-11-12-17-24-29-34-39-44-52(55)58-47-51(48-59-53(56)45-40-35-30-25-21-20-23-28-33-38-43-50(5)7-2)60-54(57)46-41-36-31-26-19-16-14-13-15-18-22-27-32-37-42-49(3)4/h49-51H,6-48H2,1-5H3/t50?,51-/m1/s1 MWYYPOIHOLLKLS-HUWKAXHXSA-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 -7.90 ALOGPS logp 19.94 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-[(14-methylhexadecanoyl)oxy]-3-(tetradecanoyloxy)propan-2-yl 18-methylnonadecanoate ChemAxon average_mass 849.42 ChemAxon mono_mass 848.783291069 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)C ChemAxon formula C54H104O6 ChemAxon inchi InChI=1S/C54H104O6/c1-6-8-9-10-11-12-17-24-29-34-39-44-52(55)58-47-51(48-59-53(56)45-40-35-30-25-21-20-23-28-33-38-43-50(5)7-2)60-54(57)46-41-36-31-26-19-16-14-13-15-18-22-27-32-37-42-49(3)4/h49-51H,6-48H2,1-5H3/t50?,51-/m1/s1 ChemAxon inchikey MWYYPOIHOLLKLS-HUWKAXHXSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 254.99 ChemAxon polarizability 114.93 ChemAxon rotatable_bond_count 51 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 652789 Specdb::MsMs 652790 Specdb::MsMs 652791 Specdb::MsMs 2375654 Specdb::MsMs 2375655 Specdb::MsMs 2375656 Specdb::MsMs 2408702 Specdb::MsMs 2408703 Specdb::MsMs 2408704 Specdb::MsMs 2554147 Specdb::MsMs 2554148 Specdb::MsMs 2554149 Specdb::MsMs 2910791 Specdb::MsMs 2910792 Specdb::MsMs 2910793 Specdb::MsMs 3032099 Specdb::MsMs 3032100 Specdb::MsMs 3032101 FDB078891 74870973 131815180