1.0 2020-03-07 05:19:31 UTC 2020-04-22 17:48:50 UTC BMDB0081722 BMDB81722 TG(14:0/19:0/i-19:0) 1-tetradecanoyl-2-nonadecanoyl-3-isononadecanoyl-glycerol 1-myristoyl-2-nonadecanoyl-3-isononadecanoyl-glycerol TG(52:0) TG(14:0/19:0/i-19:0) Triacylglycerol TAG(14:0/19:0/i-19:0) TAG(52:0) Tracylglycerol(14:0/19:0/i-19:0) Triglyceride Tracylglycerol(52:0) C55H106O6 863.447 862.798941133 (2S)-1-[(17-methyloctadecanoyl)oxy]-3-(tetradecanoyloxy)propan-2-yl nonadecanoate (2S)-1-[(17-methyloctadecanoyl)oxy]-3-(tetradecanoyloxy)propan-2-yl nonadecanoate [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC InChI=1S/C55H106O6/c1-5-7-9-11-13-15-17-18-19-20-23-28-32-36-40-44-48-55(58)61-52(49-59-53(56)46-42-38-34-30-25-16-14-12-10-8-6-2)50-60-54(57)47-43-39-35-31-27-24-21-22-26-29-33-37-41-45-51(3)4/h51-52H,5-50H2,1-4H3/t52-/m0/s1 CSALUYXNWPHVQM-MPLRIKRWSA-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 10.55 ALOGPS logs -7.89 ALOGPS logp 20.54 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(17-methyloctadecanoyl)oxy]-3-(tetradecanoyloxy)propan-2-yl nonadecanoate ChemAxon average_mass 863.447 ChemAxon mono_mass 862.798941133 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC ChemAxon formula C55H106O6 ChemAxon inchi InChI=1S/C55H106O6/c1-5-7-9-11-13-15-17-18-19-20-23-28-32-36-40-44-48-55(58)61-52(49-59-53(56)46-42-38-34-30-25-16-14-12-10-8-6-2)50-60-54(57)47-43-39-35-31-27-24-21-22-26-29-33-37-41-45-51(3)4/h51-52H,5-50H2,1-4H3/t52-/m0/s1 ChemAxon inchikey CSALUYXNWPHVQM-MPLRIKRWSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 259.64 ChemAxon polarizability 117.45 ChemAxon rotatable_bond_count 53 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 664276 Specdb::MsMs 664277 Specdb::MsMs 664278 Specdb::MsMs 2389037 Specdb::MsMs 2389038 Specdb::MsMs 2389039 Specdb::MsMs 2430286 Specdb::MsMs 2430287 Specdb::MsMs 2430288 Specdb::MsMs 2434000 Specdb::MsMs 2434001 Specdb::MsMs 2434002 Specdb::MsMs 2573252 Specdb::MsMs 2573253 Specdb::MsMs 2573254 Specdb::MsMs 2859571 Specdb::MsMs 2859572 Specdb::MsMs 2859573 FDB072119 74864294 131808497