1.0 2020-03-26 11:44:04 UTC 2020-04-22 20:14:09 UTC BMDB0108435 TG(22:4(7Z,10Z,13Z,16Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 1-(7Z,10Z,13Z,16Z-Docosatetraenoyl)-2-(11-eicosenoyl)-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycerol 1-Adrenoyl-2-eicosenoyl-3-eicosapentaenoyl-glycerol TAG(22:4/20:1/20:5) TAG(62:10) TG(22:4/20:1/20:5) TG(62:10) Tracylglycerol(22:4/20:1/20:5) Tracylglycerol(62:10) Triacylglycerol Triglyceride TG(22:4(7Z,10Z,13Z,16Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C65H106O6 983.557 982.798941133 (2S)-2-[(11Z)-icos-11-enoyloxy]-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate (2S)-2-[(11Z)-icos-11-enoyloxy]-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate [H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,32,35-36,39-40,43,45,48,62H,4-7,9-10,12-15,18,21-24,31,33-34,37-38,41-42,44,46-47,49-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-,48-45-/t62-/m1/s1 NXELWDHANAXRQK-OTTCXBAFSA-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 10.45 ALOGPS logs -8.33 ALOGPS logp 21.53 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(11Z)-icos-11-enoyloxy]-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate ChemAxon average_mass 983.557 ChemAxon mono_mass 982.798941133 ChemAxon smiles [H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C65H106O6 ChemAxon inchi InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-30,32,35-36,39-40,43,45,48,62H,4-7,9-10,12-15,18,21-24,31,33-34,37-38,41-42,44,46-47,49-61H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,35-32-,39-36-,43-40-,48-45-/t62-/m1/s1 ChemAxon inchikey NXELWDHANAXRQK-OTTCXBAFSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 316.87 ChemAxon polarizability 126.22 ChemAxon rotatable_bond_count 54 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 632050 Specdb::MsMs 632051 Specdb::MsMs 632052 Specdb::MsMs 949564 Specdb::MsMs 949565 Specdb::MsMs 949566 Specdb::MsMs 2609031 Specdb::MsMs 2609032 Specdb::MsMs 2609033 Specdb::MsMs 2707907 Specdb::MsMs 2707908 Specdb::MsMs 2707909 Specdb::MsMs 2815144 Specdb::MsMs 2815145 Specdb::MsMs 2815146 Specdb::MsMs 2822387 Specdb::MsMs 2822388 Specdb::MsMs 2822389 Specdb::MsMs 2893175 Specdb::MsMs 2893176 Specdb::MsMs 2893177 131765309