1.0 2020-03-26 08:43:14 UTC 2020-04-22 19:59:08 UTC BMDB0106066 TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 1-(15Z-Tetracosanoyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-3-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-glycerol 1-Nervonoyl-2-osbondoyl-3-docosapentaenoyl-glycerol TAG(24:1/22:5/22:5) TAG(68:11) TG(24:1/22:5/22:5) TG(68:11) Tracylglycerol(24:1/22:5/22:5) Tracylglycerol(68:11) Triacylglycerol Triglyceride TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C71H116O6 1065.703 1064.877191455 (2S)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]propyl (15Z)-tetracos-15-enoate (2S)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]propyl (15Z)-tetracos-15-enoate [H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C71H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,36-37,39,41,45,47-48,50,56,59,68H,4-7,9-10,12-16,19,22-24,31-35,38,40,42-44,46,49,51-55,57-58,60-67H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,59-56-/t68-/m1/s1 JHGARSKIENWEFN-IHHQYOMOSA-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 10.63 ALOGPS logs -8.33 ALOGPS logp 23.83 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]propyl (15Z)-tetracos-15-enoate ChemAxon average_mass 1065.703 ChemAxon mono_mass 1064.877191455 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C71H116O6 ChemAxon inchi InChI=1S/C71H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,36-37,39,41,45,47-48,50,56,59,68H,4-7,9-10,12-16,19,22-24,31-35,38,40,42-44,46,49,51-55,57-58,60-67H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,59-56-/t68-/m1/s1 ChemAxon inchikey JHGARSKIENWEFN-IHHQYOMOSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 345.59 ChemAxon polarizability 136.98 ChemAxon rotatable_bond_count 59 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 645631 Specdb::MsMs 645632 Specdb::MsMs 645633 Specdb::MsMs 955060 Specdb::MsMs 955061 Specdb::MsMs 955062 Specdb::MsMs 2271294 Specdb::MsMs 2271295 Specdb::MsMs 2271296 Specdb::MsMs 2272125 Specdb::MsMs 2272126 Specdb::MsMs 2272127 Specdb::MsMs 2488602 Specdb::MsMs 2488603 Specdb::MsMs 2488604 Specdb::MsMs 2802160 Specdb::MsMs 2802161 Specdb::MsMs 2802162 Specdb::MsMs 3069432 Specdb::MsMs 3069433 Specdb::MsMs 3069434 131762973