1.0 2020-03-26 00:15:54 UTC 2020-04-22 19:23:27 UTC BMDB0100445 TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z)) 1-Arachidonyl-2-eicosapentaenoyl-3-nervonoyl-glycerol 1-Eicosanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-(15Z-tetracosanoyl)-glycerol TAG(20:0/20:5/24:1) TAG(64:6) TG(20:0/20:5/24:1) TG(64:6) Tracylglycerol(20:0/20:5/24:1) Tracylglycerol(64:6) Triacylglycerol Triglyceride TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z)) C67H118O6 1019.675 1018.89284152 (2S)-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-3-(icosanoyloxy)propyl (15Z)-tetracos-15-enoate (2S)-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-3-(icosanoyloxy)propyl (15Z)-tetracos-15-enoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,40,43,49,52,64H,4-8,10-11,13-17,19-20,22-24,26,29,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,43-40-,52-49-/t64-/m0/s1 UKLOKIXXOZMYLK-FHQMQHOPSA-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 10.95 ALOGPS logs -8.25 ALOGPS logp 23.87 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-3-(icosanoyloxy)propyl (15Z)-tetracos-15-enoate ChemAxon average_mass 1019.675 ChemAxon mono_mass 1018.89284152 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C67H118O6 ChemAxon inchi InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25,27-28,30,40,43,49,52,64H,4-8,10-11,13-17,19-20,22-24,26,29,31-39,41-42,44-48,50-51,53-63H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,43-40-,52-49-/t64-/m0/s1 ChemAxon inchikey UKLOKIXXOZMYLK-FHQMQHOPSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 321.61 ChemAxon polarizability 135.78 ChemAxon rotatable_bond_count 60 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 578317 Specdb::MsMs 578318 Specdb::MsMs 578319 Specdb::MsMs 927820 Specdb::MsMs 927821 Specdb::MsMs 927822 Specdb::MsMs 2494232 Specdb::MsMs 2494233 Specdb::MsMs 2494234 Specdb::MsMs 2809991 Specdb::MsMs 2809992 Specdb::MsMs 2809993 Specdb::MsMs 2824360 Specdb::MsMs 2824361 Specdb::MsMs 2824362 Specdb::MsMs 2855206 Specdb::MsMs 2855207 Specdb::MsMs 2855208 Specdb::MsMs 2874329 Specdb::MsMs 2874330 Specdb::MsMs 2874331 131757111