1.0 2020-03-04 20:15:29 UTC 2020-05-21 16:29:12 UTC BMDB0068828 BMDB68828 TG(21:0/15:0/18:0) 1-heneicosyloyl-2-pentadecanoyl-3-stearoyl-glycerol TG(54:0) Tag(21:0/15:0/18:0) Tag(54:0) Triacylglycerol(21:0/15:0/18:0) Triacylglycerol(54:0) Triacylglycerol Triglyceride TG(21:0/15:0/18:0) 1-heneicosyloyl-2-pentadecanoyl-3-octadecanoyl-glycerol TG(54:0) Triacylglycerol TAG(21:0/15:0/18:0) Tracylglycerol(21:0/15:0/18:0) 1-heneicosyloyl-2-pentadecanoyl-3-stearoyl-glycerol Tracylglycerol(54:0) TAG(54:0) C57H110O6 891.501 890.830241262 (2R)-3-(octadecanoyloxy)-2-(pentadecanoyloxy)propyl henicosanoate (2R)-3-(octadecanoyloxy)-2-(pentadecanoyloxy)propyl henicosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3/t54-/m1/s1 CTBIZXWOZOYHOL-AXAMJWTMSA-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 10.69 ALOGPS logs -7.91 ALOGPS logp 21.59 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-3-(octadecanoyloxy)-2-(pentadecanoyloxy)propyl henicosanoate ChemAxon average_mass 891.501 ChemAxon mono_mass 890.830241262 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC ChemAxon formula C57H110O6 ChemAxon inchi InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3/t54-/m1/s1 ChemAxon inchikey CTBIZXWOZOYHOL-AXAMJWTMSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 268.9 ChemAxon polarizability 122.15 ChemAxon rotatable_bond_count 56 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 631507 Specdb::MsMs 631508 Specdb::MsMs 631509 Specdb::MsMs 2594506 Specdb::MsMs 2594507 Specdb::MsMs 2594508 Specdb::MsMs 2602970 Specdb::MsMs 2602971 Specdb::MsMs 2602972 Specdb::MsMs 2665219 Specdb::MsMs 2665220 Specdb::MsMs 2665221 Specdb::MsMs 2701336 Specdb::MsMs 2701337 Specdb::MsMs 2701338 Specdb::MsMs 3016533 Specdb::MsMs 3016534 Specdb::MsMs 3016535 FDB037478 131773035 BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme