1.0 2020-03-26 05:03:35 UTC 2020-04-22 19:42:05 UTC BMDB0103388 TG(18:1(11Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1-(11Z-Octadecenoyl)-2-(15Z-tetracosanoyl)-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycerol 1-Vaccenoyl-2-nervonoyl-3-docosahexaenoyl-glycerol TAG(18:1/24:1/22:6) TAG(64:8) TG(18:1/24:1/22:6) TG(64:8) Tracylglycerol(18:1/24:1/22:6) Tracylglycerol(64:8) Triacylglycerol Triglyceride TG(18:1(11Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C67H114O6 1015.643 1014.861541391 (2S)-1-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propan-2-yl (15Z)-tetracos-15-enoate (2S)-1-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propan-2-yl (15Z)-tetracos-15-enoate [H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,34,36,42,45,51,54,64H,4-7,9-10,12-16,18-19,22-23,27,30-33,35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,36-34-,45-42-,54-51-/t64-/m0/s1 AJAANHLNDFNOLC-XUWBGAKNSA-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 10.88 ALOGPS logs -8.13 ALOGPS logp 23.14 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propan-2-yl (15Z)-tetracos-15-enoate ChemAxon average_mass 1015.643 ChemAxon mono_mass 1014.861541391 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C67H114O6 ChemAxon inchi InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24-26,28-29,34,36,42,45,51,54,64H,4-7,9-10,12-16,18-19,22-23,27,30-33,35,37-41,43-44,46-50,52-53,55-63H2,1-3H3/b11-8-,20-17-,24-21-,28-25-,29-26-,36-34-,45-42-,54-51-/t64-/m0/s1 ChemAxon inchikey AJAANHLNDFNOLC-XUWBGAKNSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 323.84 ChemAxon polarizability 131.9 ChemAxon rotatable_bond_count 58 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 633946 Specdb::MsMs 633947 Specdb::MsMs 633948 Specdb::MsMs 950308 Specdb::MsMs 950309 Specdb::MsMs 950310 Specdb::MsMs 2668171 Specdb::MsMs 2668172 Specdb::MsMs 2668173 Specdb::MsMs 3046219 Specdb::MsMs 3046220 Specdb::MsMs 3046221 Specdb::MsMs 3052202 Specdb::MsMs 3052203 Specdb::MsMs 3052204 Specdb::MsMs 3080031 Specdb::MsMs 3080032 Specdb::MsMs 3080033 Specdb::MsMs 3093937 Specdb::MsMs 3093938 Specdb::MsMs 3093939 131760182