1.0 2020-03-26 08:08:19 UTC 2020-04-22 19:56:08 UTC BMDB0105604 TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/24:1(15Z)) 1-(13Z-Docosenoyl)-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-3-(15Z-tetracosanoyl)-glycerol 1-Erucoyl-2-stearidonoyl-3-nervonoyl-glycerol TAG(22:1/18:4/24:1) TAG(64:6) TG(22:1/18:4/24:1) TG(64:6) Tracylglycerol(22:1/18:4/24:1) Tracylglycerol(64:6) Triacylglycerol Triglyceride TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/24:1(15Z)) C67H118O6 1019.675 1018.89284152 (2R)-3-[(13Z)-docos-13-enoyloxy]-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl (15Z)-tetracos-15-enoate (2R)-3-[(13Z)-docos-13-enoyloxy]-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl (15Z)-tetracos-15-enoate [H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,38,46,49,64H,4-8,10-11,13-17,19-20,22-24,30-37,39-45,47-48,50-63H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,38-27-,49-46-/t64-/m0/s1 ZXGDZNSFSROUNG-YYSMCGEYSA-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 10.92 ALOGPS logs -8.25 ALOGPS logp 23.87 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-3-[(13Z)-docos-13-enoyloxy]-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl (15Z)-tetracos-15-enoate ChemAxon average_mass 1019.675 ChemAxon mono_mass 1018.89284152 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C67H118O6 ChemAxon inchi InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-29,38,46,49,64H,4-8,10-11,13-17,19-20,22-24,30-37,39-45,47-48,50-63H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,38-27-,49-46-/t64-/m0/s1 ChemAxon inchikey ZXGDZNSFSROUNG-YYSMCGEYSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 321.61 ChemAxon polarizability 135.67 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::CMs 191794 Specdb::MsMs 659473 Specdb::MsMs 659474 Specdb::MsMs 659475 Specdb::MsMs 960412 Specdb::MsMs 960413 Specdb::MsMs 960414 Specdb::MsMs 2277491 Specdb::MsMs 2277492 Specdb::MsMs 2277493 Specdb::MsMs 2336674 Specdb::MsMs 2336675 Specdb::MsMs 2336676 Specdb::MsMs 2628554 Specdb::MsMs 2628555 Specdb::MsMs 2628556 Specdb::MsMs 3023073 Specdb::MsMs 3023074 Specdb::MsMs 3023075 Specdb::MsMs 3078174 Specdb::MsMs 3078175 Specdb::MsMs 3078176 131762515