1.0 2020-03-25 16:42:32 UTC 2020-04-22 19:02:35 UTC BMDB0097144 TG(14:0/22:0/16:0) 1-Myristoyl-2-behenoyl-3-palmitoyl-glycerol 1-Tetradecanoyl-2-docosanoyl-3-hexadecanoyl-glycerol TAG(14:0/22:0/16:0) TAG(52:0) TG(52:0) Tracylglycerol(14:0/22:0/16:0) Tracylglycerol(52:0) Triacylglycerol Triglyceride TG(14:0/22:0/16:0) C55H106O6 863.447 862.798941133 (2S)-1-(hexadecanoyloxy)-3-(tetradecanoyloxy)propan-2-yl docosanoate (2S)-1-(hexadecanoyloxy)-3-(tetradecanoyloxy)propan-2-yl docosanoate [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC InChI=1S/C55H106O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h52H,4-51H2,1-3H3/t52-/m0/s1 WGSLYUZAJFHORT-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 10.67 ALOGPS logs -7.89 ALOGPS logp 20.7 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-(hexadecanoyloxy)-3-(tetradecanoyloxy)propan-2-yl docosanoate ChemAxon average_mass 863.447 ChemAxon mono_mass 862.798941133 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC ChemAxon formula C55H106O6 ChemAxon inchi InChI=1S/C55H106O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h52H,4-51H2,1-3H3/t52-/m0/s1 ChemAxon inchikey WGSLYUZAJFHORT-MPLRIKRWSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 259.69 ChemAxon polarizability 117.87 ChemAxon rotatable_bond_count 54 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 243609 Specdb::MsMs 660049 Specdb::MsMs 660050 Specdb::MsMs 660051 Specdb::MsMs 960664 Specdb::MsMs 960665 Specdb::MsMs 960666 Specdb::MsMs 2405042 Specdb::MsMs 2405043 Specdb::MsMs 2405044 Specdb::MsMs 2416564 Specdb::MsMs 2416565 Specdb::MsMs 2416566 Specdb::MsMs 2684841 Specdb::MsMs 2684842 Specdb::MsMs 2684843 Specdb::MsMs 2935163 Specdb::MsMs 2935164 Specdb::MsMs 2935165 Specdb::MsMs 3024801 Specdb::MsMs 3024802 Specdb::MsMs 3024803 131753355