1.0 2020-03-26 08:12:12 UTC 2020-04-22 19:56:27 UTC BMDB0105654 TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z)) Triacylglycerol Tracylglycerol(66:7) TAG(66:7) TG(22:1/22:5/22:1) Triglyceride TG(66:7) 1-Erucoyl-2-docosapentaenoyl-3-erucoyl-glycerol Tracylglycerol(22:1/22:5/22:1) TAG(22:1/22:5/22:1) 1-(13Z-Docosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-3-(13Z-docosenoyl)-glycerol TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z)) C69H120O6 1045.6875 1044.908491572 1,3-bis[(13Z)-docos-13-enoyloxy]propan-2-yl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate 1,3-bis[(13Z)-docos-13-enoyloxy]propan-2-yl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate [H]C(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,36,39,45,48,66H,4-8,10-11,13-17,19-20,22-24,31-35,37-38,40-44,46-47,49-65H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45- KWLRMXKYTIUUDB-ZAMVXBHRSA-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 10.91 ALOGPS logs -8.16 ALOGPS logp 24.39 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 1,3-bis[(13Z)-docos-13-enoyloxy]propan-2-yl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate ChemAxon average_mass 1045.6875 ChemAxon mono_mass 1044.908491572 ChemAxon smiles [H]C(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C69H120O6 ChemAxon inchi InChI=1S/C69H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,36,39,45,48,66H,4-8,10-11,13-17,19-20,22-24,31-35,37-38,40-44,46-47,49-65H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45- ChemAxon inchikey KWLRMXKYTIUUDB-ZAMVXBHRSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 331.92 ChemAxon polarizability 137.04 ChemAxon rotatable_bond_count 61 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 672664 Specdb::MsMs 672665 Specdb::MsMs 672666 Specdb::MsMs 2283871 Specdb::MsMs 2283872 Specdb::MsMs 2283873 Specdb::MsMs 2486529 Specdb::MsMs 2486530 Specdb::MsMs 2486531 Specdb::MsMs 2729002 Specdb::MsMs 2729003 Specdb::MsMs 2729004 Specdb::MsMs 2979761 Specdb::MsMs 2979762 Specdb::MsMs 2979763 Specdb::MsMs 3029198 Specdb::MsMs 3029199 Specdb::MsMs 3029200 131762559