1.0 2020-03-04 19:16:16 UTC 2020-05-21 16:29:10 UTC BMDB0067389 BMDB67389 TG(20:0/12:0/13:0) 1-arachidoyl-2-lauroyl-3-tridecyloyl-glycerol TG(45:0) Tag(20:0/12:0/13:0) Tag(45:0) Triacylglycerol(20:0/12:0/13:0) Triacylglycerol(45:0) Triacylglycerol Triglyceride TG(20:0/12:0/13:0) 1-eicosanoyl-2-dodecanoyl-3-animal fats-glycerol Tracylglycerol(45:0) TG(45:0) Triacylglycerol Tracylglycerol(20:0/12:0/13:0) TAG(45:0) TAG(20:0/12:0/13:0) 1-arachidonyl-2-dodecanoyl-3-tridecyloyl-glycerol C48H92O6 765.258 764.689390682 (2R)-2-(dodecanoyloxy)-3-(tridecanoyloxy)propyl icosanoate (2R)-2-(dodecanoyloxy)-3-(tridecanoyloxy)propyl icosanoate [H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC InChI=1S/C48H92O6/c1-4-7-10-13-16-19-21-22-23-24-25-26-27-30-32-35-38-41-47(50)53-44-45(54-48(51)42-39-36-33-28-18-15-12-9-6-3)43-52-46(49)40-37-34-31-29-20-17-14-11-8-5-2/h45H,4-44H2,1-3H3/t45-/m1/s1 GBOZXIROHBFKDO-WBVITSLISA-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 10.51 ALOGPS logs -7.79 ALOGPS logp 17.59 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-(dodecanoyloxy)-3-(tridecanoyloxy)propyl icosanoate ChemAxon average_mass 765.258 ChemAxon mono_mass 764.689390682 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC ChemAxon formula C48H92O6 ChemAxon inchi InChI=1S/C48H92O6/c1-4-7-10-13-16-19-21-22-23-24-25-26-27-30-32-35-38-41-47(50)53-44-45(54-48(51)42-39-36-33-28-18-15-12-9-6-3)43-52-46(49)40-37-34-31-29-20-17-14-11-8-5-2/h45H,4-44H2,1-3H3/t45-/m1/s1 ChemAxon inchikey GBOZXIROHBFKDO-WBVITSLISA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 227.49 ChemAxon polarizability 102.82 ChemAxon rotatable_bond_count 47 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 686701 Specdb::MsMs 686702 Specdb::MsMs 686703 Specdb::MsMs 971236 Specdb::MsMs 971237 Specdb::MsMs 971238 Specdb::MsMs 2343788 Specdb::MsMs 2343789 Specdb::MsMs 2343790 Specdb::MsMs 2371076 Specdb::MsMs 2371077 Specdb::MsMs 2371078 Specdb::MsMs 2839083 Specdb::MsMs 2839084 Specdb::MsMs 2839085 Specdb::MsMs 2870030 Specdb::MsMs 2870031 Specdb::MsMs 2870032 Specdb::MsMs 2987040 Specdb::MsMs 2987041 Specdb::MsMs 2987042 131771644 FDB036044 BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme