1.0 2020-03-07 07:04:00 UTC 2020-04-22 17:58:56 UTC BMDB0083318 BMDB83318 TG(i-15:0/i-16:0/10:0) 1-isopentadecanoyl-2-isohexadecanoyl-3-animal fats-glycerol TAG(i-15:0/i-16:0/10:0) TG(i-15:0/i-16:0/10:0) Triacylglycerol TAG(41:0) Triglyceride Tracylglycerol(i-15:0/i-16:0/10:0) 1-isopentadecanoyl-2-isohexadecanoyl-3-decanoic acid-glycerol Tracylglycerol(41:0) TG(41:0) C44H84O6 709.15 708.626790425 (2R)-1-(decanoyloxy)-3-[(13-methyltetradecanoyl)oxy]propan-2-yl 14-methylpentadecanoate (2R)-1-(decanoyloxy)-3-[(13-methyltetradecanoyl)oxy]propan-2-yl 14-methylpentadecanoate [H][C@@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C InChI=1S/C44H84O6/c1-6-7-8-9-17-24-29-34-42(45)48-37-41(38-49-43(46)35-30-25-20-16-12-14-19-23-28-33-40(4)5)50-44(47)36-31-26-21-15-11-10-13-18-22-27-32-39(2)3/h39-41H,6-38H2,1-5H3/t41-/m1/s1 GORFARHKGTXOTL-VQJSHJPSSA-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 9.81 ALOGPS logs -7.79 ALOGPS logp 15.5 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-(decanoyloxy)-3-[(13-methyltetradecanoyl)oxy]propan-2-yl 14-methylpentadecanoate ChemAxon average_mass 709.15 ChemAxon mono_mass 708.626790425 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C ChemAxon formula C44H84O6 ChemAxon inchi InChI=1S/C44H84O6/c1-6-7-8-9-17-24-29-34-42(45)48-37-41(38-49-43(46)35-30-25-20-16-12-14-19-23-28-33-40(4)5)50-44(47)36-31-26-21-15-11-10-13-18-22-27-32-39(2)3/h39-41H,6-38H2,1-5H3/t41-/m1/s1 ChemAxon inchikey GORFARHKGTXOTL-VQJSHJPSSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 208.98 ChemAxon polarizability 93.78 ChemAxon rotatable_bond_count 41 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 641500 Specdb::MsMs 641501 Specdb::MsMs 641502 Specdb::MsMs 2311475 Specdb::MsMs 2311476 Specdb::MsMs 2311477 Specdb::MsMs 2377726 Specdb::MsMs 2377727 Specdb::MsMs 2377728 Specdb::MsMs 2561886 Specdb::MsMs 2561887 Specdb::MsMs 2561888 Specdb::MsMs 2960106 Specdb::MsMs 2960107 Specdb::MsMs 2960108 Specdb::MsMs 3055268 Specdb::MsMs 3055269 Specdb::MsMs 3055270 FDB073755 74865880 131810082