1.0 2020-03-26 00:04:30 UTC 2020-04-22 19:22:33 UTC BMDB0100303 TG(20:0/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) 1-Arachidonyl-2-docosadienoyl-3-arachidonoyl-glycerol 1-Eicosanoyl-2-(13Z,16Z-docosadienoyl)-3-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-glycerol TAG(20:0/22:2/20:4) TAG(62:6) TG(20:0/22:2/20:4) TG(62:6) Tracylglycerol(20:0/22:2/20:4) Tracylglycerol(62:6) Triacylglycerol Triglyceride TG(20:0/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) C65H114O6 991.621 990.861541391 (2S)-1-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-(icosanoyloxy)propan-2-yl (13Z,16Z)-docosa-13,16-dienoate (2S)-1-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-(icosanoyloxy)propan-2-yl (13Z,16Z)-docosa-13,16-dienoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-26,28-29,36,39,45,48,62H,4-15,18,21-24,27,30-35,37-38,40-44,46-47,49-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,39-36-,48-45-/t62-/m1/s1 BZZPTIKSMPXDJK-OCBLIXRMSA-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 10.93 ALOGPS logs -8.24 ALOGPS logp 22.98 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-(icosanoyloxy)propan-2-yl (13Z,16Z)-docosa-13,16-dienoate ChemAxon average_mass 991.621 ChemAxon mono_mass 990.861541391 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC ChemAxon formula C65H114O6 ChemAxon inchi InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-26,28-29,36,39,45,48,62H,4-15,18,21-24,27,30-35,37-38,40-44,46-47,49-61H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,39-36-,48-45-/t62-/m1/s1 ChemAxon inchikey BZZPTIKSMPXDJK-OCBLIXRMSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 312.4 ChemAxon polarizability 130.91 ChemAxon rotatable_bond_count 58 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 680416 Specdb::MsMs 680417 Specdb::MsMs 680418 Specdb::MsMs 968764 Specdb::MsMs 968765 Specdb::MsMs 968766 Specdb::MsMs 2323321 Specdb::MsMs 2323322 Specdb::MsMs 2323323 Specdb::MsMs 2834064 Specdb::MsMs 2834065 Specdb::MsMs 2834066 Specdb::MsMs 2871725 Specdb::MsMs 2871726 Specdb::MsMs 2871727 Specdb::MsMs 2957022 Specdb::MsMs 2957023 Specdb::MsMs 2957024 Specdb::MsMs 2966541 Specdb::MsMs 2966542 Specdb::MsMs 2966543 131756974