1.0 2020-03-26 07:36:44 UTC 2020-04-22 19:53:43 UTC BMDB0105219 TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)) 1-(5Z,8Z,11Z-Eicosatrienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-(8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycerol 1-Meadoyl-2-docosahexaenoyl-3-eicsoatetraenoyl-glycerol TAG(20:3/22:6/20:4) TAG(62:13) TG(20:3/22:6/20:4) TG(62:13) Tracylglycerol(20:3/22:6/20:4) Tracylglycerol(62:13) Triacylglycerol Triglyceride TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)) C65H100O6 977.509 976.75199094 (2R)-1-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate (2R)-1-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate [H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C65H100O6/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/h7-8,10-11,16-17,19-20,25-30,32,35-37,39-41,44,46,49-50,53,62H,4-6,9,12-15,18,21-24,31,33-34,38,42-43,45,47-48,51-52,54-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,49-46-,53-50-/t62-/m1/s1 MKUDSHOEWNCTAU-WWTGNTJDSA-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 9.62 ALOGPS logs -8.08 ALOGPS logp 20.44 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate ChemAxon average_mass 977.509 ChemAxon mono_mass 976.75199094 ChemAxon smiles [H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C65H100O6 ChemAxon inchi InChI=1S/C65H100O6/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/h7-8,10-11,16-17,19-20,25-30,32,35-37,39-41,44,46,49-50,53,62H,4-6,9,12-15,18,21-24,31,33-34,38,42-43,45,47-48,51-52,54-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,40-37-,44-41-,49-46-,53-50-/t62-/m1/s1 ChemAxon inchikey MKUDSHOEWNCTAU-WWTGNTJDSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 320.22 ChemAxon polarizability 122.03 ChemAxon rotatable_bond_count 51 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 572779 Specdb::MsMs 572780 Specdb::MsMs 572781 Specdb::MsMs 925567 Specdb::MsMs 925568 Specdb::MsMs 925569 Specdb::MsMs 2566787 Specdb::MsMs 2566788 Specdb::MsMs 2566789 Specdb::MsMs 2627861 Specdb::MsMs 2627862 Specdb::MsMs 2627863 Specdb::MsMs 2667718 Specdb::MsMs 2667719 Specdb::MsMs 2667720 Specdb::MsMs 2726264 Specdb::MsMs 2726265 Specdb::MsMs 2726266 Specdb::MsMs 3014192 Specdb::MsMs 3014193 Specdb::MsMs 3014194 131762117