1.0 2020-03-25 17:44:08 UTC 2020-04-22 19:07:15 UTC BMDB0097882 TG(15:0/18:0/15:0) 1-Pentadecanoyl-2-octadecanoyl-3-pentadecanoyl-glycerol 1-Pentadecanoyl-2-stearoyl-3-pentadecanoyl-glycerol TAG(15:0/18:0/15:0) TAG(48:0) TG(48:0) Tracylglycerol(15:0/18:0/15:0) Tracylglycerol(48:0) Triacylglycerol Triglyceride TG(15:0/18:0/15:0) C51H98O6 807.3202 806.736340868 1,3-bis(pentadecanoyloxy)propan-2-yl octadecanoate 1,3-bis(pentadecanoyloxy)propan-2-yl octadecanoate [H]C(COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3/h48H,4-47H2,1-3H3 MAWXXPKHPDSJMR-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 10.59 ALOGPS logs -7.84 ALOGPS logp 18.92 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 1,3-bis(pentadecanoyloxy)propan-2-yl octadecanoate ChemAxon average_mass 807.3202 ChemAxon mono_mass 806.736340868 ChemAxon smiles [H]C(COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC ChemAxon formula C51H98O6 ChemAxon inchi InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3/h48H,4-47H2,1-3H3 ChemAxon inchikey MAWXXPKHPDSJMR-UHFFFAOYSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 241.29 ChemAxon polarizability 109.18 ChemAxon rotatable_bond_count 50 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 633043 Specdb::MsMs 633044 Specdb::MsMs 633045 Specdb::MsMs 2334211 Specdb::MsMs 2334212 Specdb::MsMs 2334213 Specdb::MsMs 2370740 Specdb::MsMs 2370741 Specdb::MsMs 2370742 Specdb::MsMs 2546817 Specdb::MsMs 2546818 Specdb::MsMs 2546819 Specdb::MsMs 2568388 Specdb::MsMs 2568389 Specdb::MsMs 2568390 Specdb::MsMs 2754343 Specdb::MsMs 2754344 Specdb::MsMs 2754345 131754178