1.0 2020-03-26 07:47:13 UTC 2020-04-22 19:54:28 UTC BMDB0105340 TG(22:1(13Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1-(13Z-Docosenoyl)-2-tetracosanoyl-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycerol 1-Erucoyl-2-lignoceroyl-3-docosahexaenoyl-glycerol TAG(22:1/24:0/22:6) TAG(68:7) TG(22:1/24:0/22:6) TG(68:7) Tracylglycerol(22:1/24:0/22:6) Tracylglycerol(68:7) Triacylglycerol Triglyceride TG(22:1(13Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C71H124O6 1073.767 1072.939791713 (2S)-1-[(13Z)-docos-13-enoyloxy]-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]propan-2-yl tetracosanoate (2S)-1-[(13Z)-docos-13-enoyloxy]-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]propan-2-yl tetracosanoate [H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(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)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26-27,29-30,36,39,45,48,54,57,68H,4-7,9-10,12-16,18-19,21-25,28,31-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,39-36-,48-45-,57-54-/t68-/m1/s1 DSZZBQATJHYQHK-HYBSJYSYSA-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 10.98 ALOGPS logs -8.27 ALOGPS logp 25.28 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(13Z)-docos-13-enoyloxy]-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]propan-2-yl tetracosanoate ChemAxon average_mass 1073.767 ChemAxon mono_mass 1072.939791713 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC ChemAxon formula C71H124O6 ChemAxon inchi InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(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)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17,20,26-27,29-30,36,39,45,48,54,57,68H,4-7,9-10,12-16,18-19,21-25,28,31-35,37-38,40-44,46-47,49-53,55-56,58-67H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,39-36-,48-45-,57-54-/t68-/m1/s1 ChemAxon inchikey DSZZBQATJHYQHK-HYBSJYSYSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 341.13 ChemAxon polarizability 142.27 ChemAxon rotatable_bond_count 63 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 622456 Specdb::MsMs 622457 Specdb::MsMs 622458 Specdb::MsMs 945583 Specdb::MsMs 945584 Specdb::MsMs 945585 Specdb::MsMs 2371049 Specdb::MsMs 2371050 Specdb::MsMs 2371051 Specdb::MsMs 2519004 Specdb::MsMs 2519005 Specdb::MsMs 2519006 Specdb::MsMs 2563881 Specdb::MsMs 2563882 Specdb::MsMs 2563883 Specdb::MsMs 2839155 Specdb::MsMs 2839156 Specdb::MsMs 2839157 Specdb::MsMs 2863740 Specdb::MsMs 2863741 Specdb::MsMs 2863742 131762248