1.0 2020-03-25 21:03:13 UTC 2020-04-22 19:14:50 UTC BMDB0099079 TG(16:0/20:4(8Z,11Z,14Z,17Z)/O-18:0) 1-Hexadecanoyl-2-(8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-octadecanyl-glycerol 1-Palmitoyl-2-eicsoatetraenoyl-3-stearyl-glycerol TAG(16:0/20:4/18:0) TAG(54:4) TG(16:0/20:4/18:0) TG(54:4) Tracylglycerol(16:0/20:4/18:0) Tracylglycerol(54:4) Triacylglycerol Triglyceride TG(16:0/20:4(8Z,11Z,14Z,17Z)/o-18:0) (2R)-1-(Hexadecanoyloxy)-3-(octadecyloxy)propan-2-yl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoic acid C57H104O5 869.454 868.788376449 (2R)-1-(hexadecanoyloxy)-3-(octadecyloxy)propan-2-yl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate (2R)-1-(hexadecanoyloxy)-3-(octadecyloxy)propan-2-yl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate [H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,33,55H,4-6,8-9,11-15,17-18,20-24,26,28-29,31-32,34-54H2,1-3H3/b10-7-,19-16-,27-25-,33-30-/t55-/m1/s1 ZDQSYJNEPMDFCF-ITQLONQQSA-N belongs to the class of organic compounds known as alkyldiacylglycerols. These are triradylglycerols that carry exactly two acyl chains attached to the glycerol moiety through an ester linkage, and one attached through an ester linkage. Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Alkyldiacylglycerols Carbonyl compounds Carboxylic acid esters Dialkyl ethers Dicarboxylic acids and derivatives Fatty acid esters Glycerol ethers Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Alkyldiacylglycerol Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Dicarboxylic acid or derivatives Ether Fatty acid ester Fatty acyl Glycerol ether Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Aliphatic acyclic compounds logp 11.06 ALOGPS logs -8.23 ALOGPS logp 20.52 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac (2R)-1-(hexadecanoyloxy)-3-(octadecyloxy)propan-2-yl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate ChemAxon average_mass 869.454 ChemAxon mono_mass 868.788376449 ChemAxon smiles [H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C57H104O5 ChemAxon inchi InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,30,33,55H,4-6,8-9,11-15,17-18,20-24,26,28-29,31-32,34-54H2,1-3H3/b10-7-,19-16-,27-25-,33-30-/t55-/m1/s1 ChemAxon inchikey ZDQSYJNEPMDFCF-ITQLONQQSA-N ChemAxon polar_surface_area 61.83 ChemAxon refractivity 273.61 ChemAxon polarizability 117.53 ChemAxon rotatable_bond_count 52 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 288838 Specdb::MsMs 288839 Specdb::MsMs 288840 Specdb::MsMs 328093 Specdb::MsMs 328094 Specdb::MsMs 328095 Specdb::MsMs 2716659 Specdb::MsMs 2716660 Specdb::MsMs 2716661 Specdb::MsMs 2962728 Specdb::MsMs 2962729 Specdb::MsMs 2962730 131755609