1.0 2020-03-07 04:37:43 UTC 2020-04-22 17:44:50 UTC BMDB0081084 BMDB81084 TG(14:0/15:0/8:0) 1-tetradecanoyl-2-pentadecanoyl-3-capryloyl-glycerol Triacylglycerol TG(14:0/15:0/8:0) Triglyceride TG(37:0) 1-myristoyl-2-pentadecanoyl-3-octanoyl-glycerol Tracylglycerol(37:0) TAG(37:0) Tracylglycerol(14:0/15:0/8:0) TAG(14:0/15:0/8:0) C40H76O6 653.042 652.564190167 (2R)-1-(octanoyloxy)-3-(tetradecanoyloxy)propan-2-yl pentadecanoate (2R)-1-(octanoyloxy)-3-(tetradecanoyloxy)propan-2-yl pentadecanoate [H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC InChI=1S/C40H76O6/c1-4-7-10-13-15-17-19-21-23-25-28-31-34-40(43)46-37(35-44-38(41)32-29-26-12-9-6-3)36-45-39(42)33-30-27-24-22-20-18-16-14-11-8-5-2/h37H,4-36H2,1-3H3/t37-/m1/s1 VBLKZBVAQXNVTQ-DIPNUNPCSA-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 9.89 ALOGPS logs -7.72 ALOGPS logp 14.03 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-(octanoyloxy)-3-(tetradecanoyloxy)propan-2-yl pentadecanoate ChemAxon average_mass 653.042 ChemAxon mono_mass 652.564190167 ChemAxon smiles [H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC ChemAxon formula C40H76O6 ChemAxon inchi InChI=1S/C40H76O6/c1-4-7-10-13-15-17-19-21-23-25-28-31-34-40(43)46-37(35-44-38(41)32-29-26-12-9-6-3)36-45-39(42)33-30-27-24-22-20-18-16-14-11-8-5-2/h37H,4-36H2,1-3H3/t37-/m1/s1 ChemAxon inchikey VBLKZBVAQXNVTQ-DIPNUNPCSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 190.68 ChemAxon polarizability 85.87 ChemAxon rotatable_bond_count 39 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 612760 Specdb::MsMs 612761 Specdb::MsMs 612762 Specdb::MsMs 2319557 Specdb::MsMs 2319558 Specdb::MsMs 2319559 Specdb::MsMs 2412169 Specdb::MsMs 2412170 Specdb::MsMs 2412171 Specdb::MsMs 2619860 Specdb::MsMs 2619861 Specdb::MsMs 2619862 Specdb::MsMs 2941310 Specdb::MsMs 2941311 Specdb::MsMs 2941312 Specdb::MsMs 3002080 Specdb::MsMs 3002081 Specdb::MsMs 3002082 Specdb::CMs 211293 FDB071480 74863653 131807857