1.0 2020-03-26 01:19:11 UTC 2020-04-22 19:28:11 UTC BMDB0101193 TG(24:0/14:0/24:0) 1-Lignoceroyl-2-myristoyl-3-lignoceroyl-glycerol Triacylglycerol TG(62:0) Triglyceride Tracylglycerol(24:0/14:0/24:0) TAG(24:0/14:0/24:0) Tracylglycerol(62:0) 1-Tetracosanoyl-2-tetradecanoyl-3-tetracosanoyl-glycerol TAG(62:0) TG(24:0/14:0/24:0) C65H126O6 1003.6923 1002.955441764 3-(tetracosanoyloxy)-2-(tetradecanoyloxy)propyl tetracosanoate 3-(tetracosanoyloxy)-2-(tetradecanoyloxy)propyl tetracosanoate [H]C(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC InChI=1S/C65H126O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-42-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-44-41-39-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h62H,4-61H2,1-3H3 PQCIUSMTMQGOQD-UHFFFAOYSA-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 10.65 ALOGPS logs -7.95 ALOGPS logp 25.15 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 3-(tetracosanoyloxy)-2-(tetradecanoyloxy)propyl tetracosanoate ChemAxon average_mass 1003.6923 ChemAxon mono_mass 1002.955441764 ChemAxon smiles [H]C(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC ChemAxon formula C65H126O6 ChemAxon inchi InChI=1S/C65H126O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-38-40-43-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-42-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-44-41-39-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h62H,4-61H2,1-3H3 ChemAxon inchikey PQCIUSMTMQGOQD-UHFFFAOYSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 305.7 ChemAxon polarizability 139.55 ChemAxon rotatable_bond_count 64 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 201111 Specdb::MsMs 653875 Specdb::MsMs 653876 Specdb::MsMs 653877 Specdb::MsMs 2266929 Specdb::MsMs 2266930 Specdb::MsMs 2266931 Specdb::MsMs 2612788 Specdb::MsMs 2612789 Specdb::MsMs 2612790 Specdb::MsMs 2699728 Specdb::MsMs 2699729 Specdb::MsMs 2699730 Specdb::MsMs 3006009 Specdb::MsMs 3006010 Specdb::MsMs 3006011 Specdb::MsMs 3019233 Specdb::MsMs 3019234 Specdb::MsMs 3019235 131757849