1.0 2020-03-25 18:45:14 UTC 2020-04-22 19:11:54 UTC BMDB0098617 TG(16:0/20:0/20:5(5Z,8Z,11Z,14Z,17Z)) 1-Hexadecanoyl-2-eicosanoyl-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycerol 1-Palmitoyl-2-arachidonyl-3-eicosapentaenoyl-glycerol TAG(16:0/20:0/20:5) TAG(56:5) TG(16:0/20:0/20:5) TG(56:5) Tracylglycerol(16:0/20:0/20:5) Tracylglycerol(56:5) Triacylglycerol Triglyceride TG(16:0/20:0/20:5(5Z,8Z,11Z,14Z,17Z)) C59H104O6 909.475 908.783291069 (2S)-3-(hexadecanoyloxy)-2-(icosanoyloxy)propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate (2S)-3-(hexadecanoyloxy)-2-(icosanoyloxy)propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31,34,40,43,56H,4-6,8-9,11-15,17-18,20-24,26,28-30,32-33,35-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,27-25-,34-31-,43-40-/t56-/m0/s1 ODQPSLIHPJJOPS-RRRIQWIQSA-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 10.89 ALOGPS logs -8.18 ALOGPS logp 20.67 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-(hexadecanoyloxy)-2-(icosanoyloxy)propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate ChemAxon average_mass 909.475 ChemAxon mono_mass 908.783291069 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC ChemAxon formula C59H104O6 ChemAxon inchi InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,31,34,40,43,56H,4-6,8-9,11-15,17-18,20-24,26,28-30,32-33,35-39,41-42,44-55H2,1-3H3/b10-7-,19-16-,27-25-,34-31-,43-40-/t56-/m0/s1 ChemAxon inchikey ODQPSLIHPJJOPS-RRRIQWIQSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 283.68 ChemAxon polarizability 119.67 ChemAxon rotatable_bond_count 53 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::CMs 210195 Specdb::MsMs 621334 Specdb::MsMs 621335 Specdb::MsMs 621336 Specdb::MsMs 945154 Specdb::MsMs 945155 Specdb::MsMs 945156 Specdb::MsMs 2341440 Specdb::MsMs 2341441 Specdb::MsMs 2341442 Specdb::MsMs 2347037 Specdb::MsMs 2347038 Specdb::MsMs 2347039 Specdb::MsMs 2461816 Specdb::MsMs 2461817 Specdb::MsMs 2461818 Specdb::MsMs 2591605 Specdb::MsMs 2591606 Specdb::MsMs 2591607 Specdb::MsMs 2891703 Specdb::MsMs 2891704 Specdb::MsMs 2891705 131755053