1.0 2020-03-04 19:30:12 UTC 2020-05-21 16:29:10 UTC BMDB0067988 BMDB67988 TG(21:0/10:0/18:0) 1-heneicosyloyl-2-decanoyl-3-stearoyl-glycerol TG(49:0) Tag(21:0/10:0/18:0) Tag(49:0) Triacylglycerol(21:0/10:0/18:0) Triacylglycerol(49:0) Triacylglycerol Triglyceride TG(21:0/10:0/18:0) 1-heneicosyloyl-2-animal fats-3-octadecanoyl-glycerol 1-heneicosyloyl-2-decanoic acid-3-stearoyl-glycerol Triacylglycerol Tracylglycerol(21:0/10:0/18:0) Tracylglycerol(49:0) TAG(49:0) TG(49:0) TAG(21:0/10:0/18:0) C52H100O6 821.366 820.75199094 (2R)-2-(decanoyloxy)-3-(octadecanoyloxy)propyl henicosanoate (2R)-2-(decanoyloxy)-3-(octadecanoyloxy)propyl henicosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC InChI=1S/C52H100O6/c1-4-7-10-13-16-18-20-22-24-25-26-28-30-32-34-37-39-42-45-51(54)57-48-49(58-52(55)46-43-40-35-15-12-9-6-3)47-56-50(53)44-41-38-36-33-31-29-27-23-21-19-17-14-11-8-5-2/h49H,4-48H2,1-3H3/t49-/m1/s1 BRWIAUXPQAPQLT-ANFMRNGASA-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 10.64 ALOGPS logs -7.87 ALOGPS logp 19.37 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-(decanoyloxy)-3-(octadecanoyloxy)propyl henicosanoate ChemAxon average_mass 821.366 ChemAxon mono_mass 820.75199094 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC ChemAxon formula C52H100O6 ChemAxon inchi InChI=1S/C52H100O6/c1-4-7-10-13-16-18-20-22-24-25-26-28-30-32-34-37-39-42-45-51(54)57-48-49(58-52(55)46-43-40-35-15-12-9-6-3)47-56-50(53)44-41-38-36-33-31-29-27-23-21-19-17-14-11-8-5-2/h49H,4-48H2,1-3H3/t49-/m1/s1 ChemAxon inchikey BRWIAUXPQAPQLT-ANFMRNGASA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 245.89 ChemAxon polarizability 111.6 ChemAxon rotatable_bond_count 51 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 683164 Specdb::MsMs 683165 Specdb::MsMs 683166 Specdb::MsMs 969793 Specdb::MsMs 969794 Specdb::MsMs 969795 Specdb::MsMs 2291463 Specdb::MsMs 2291464 Specdb::MsMs 2291465 Specdb::MsMs 2472084 Specdb::MsMs 2472085 Specdb::MsMs 2472086 Specdb::MsMs 2702358 Specdb::MsMs 2702359 Specdb::MsMs 2702360 Specdb::MsMs 2895080 Specdb::MsMs 2895081 Specdb::MsMs 2895082 Specdb::MsMs 3006995 Specdb::MsMs 3006996 Specdb::MsMs 3006997 131772227 FDB036638 BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme