1.0 2020-03-25 16:41:55 UTC 2020-04-22 19:02:32 UTC BMDB0097136 TG(14:0/20:0/22:5(4Z,7Z,10Z,13Z,16Z)) 1-Myristoyl-2-arachidonyl-3-osbondoyl-glycerol 1-Tetradecanoyl-2-eicosanoyl-3-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-glycerol TAG(14:0/20:0/22:5) TAG(56:5) TG(14:0/20:0/22:5) TG(56:5) Tracylglycerol(14:0/20:0/22:5) Tracylglycerol(56:5) Triacylglycerol Triglyceride TG(14:0/20:0/22:5(4Z,7Z,10Z,13Z,16Z)) C59H104O6 909.475 908.783291069 (2S)-2-(icosanoyloxy)-3-(tetradecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate (2S)-2-(icosanoyloxy)-3-(tetradecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29,31,34,37,43,46,56H,4-15,17-18,20-23,25,27-28,30,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b19-16-,26-24-,31-29-,37-34-,46-43-/t56-/m0/s1 CFNQRNRRGMWBEU-DQSCBJRJSA-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 10.90 ALOGPS logs -8.17 ALOGPS logp 20.67 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-(icosanoyloxy)-3-(tetradecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate ChemAxon average_mass 909.475 ChemAxon mono_mass 908.783291069 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC ChemAxon formula C59H104O6 ChemAxon inchi InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,29,31,34,37,43,46,56H,4-15,17-18,20-23,25,27-28,30,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b19-16-,26-24-,31-29-,37-34-,46-43-/t56-/m0/s1 ChemAxon inchikey CFNQRNRRGMWBEU-DQSCBJRJSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 283.68 ChemAxon polarizability 119.4 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 194200 Specdb::MsMs 646276 Specdb::MsMs 646277 Specdb::MsMs 646278 Specdb::MsMs 955285 Specdb::MsMs 955286 Specdb::MsMs 955287 Specdb::MsMs 2261554 Specdb::MsMs 2261555 Specdb::MsMs 2261556 Specdb::MsMs 2436205 Specdb::MsMs 2436206 Specdb::MsMs 2436207 Specdb::MsMs 2526384 Specdb::MsMs 2526385 Specdb::MsMs 2526386 Specdb::MsMs 2847311 Specdb::MsMs 2847312 Specdb::MsMs 2847313 Specdb::MsMs 3012074 Specdb::MsMs 3012075 Specdb::MsMs 3012076 131753345