1.0 2020-03-26 13:15:15 UTC 2020-04-22 20:21:21 UTC BMDB0109569 TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1-Docosahexaenoyl-2-dihomo-gamma-linolenoyl-3-docosahexaenoyl-glycerol TG(22:6/20:3/22:6) TG(22:6n3/20:3n6/22:6n3) TG(22:6W3/20:3W6/22:6W3) TG(64:15) Tag(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Tag(22:6/20:3/22:6) Tag(22:6n3/20:3n6/22:6n3) Tag(22:6W3/20:3W6/22:6W3) Tag(64:15) Triacylglycerol(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Triacylglycerol(22:6/20:3/22:6) Triacylglycerol(22:6n3/20:3n6/22:6n3) Triacylglycerol(22:6W3/20:3W6/22:6W3) Triacylglycerol(64:15) Triacylglycerol Triglyceride TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Tracylglycerol(64:15) Tracylglycerol(22:6/20:3n6/22:6) Tracylglycerol(22:6/20:3/22:6) TG(22:6/20:3n6/22:6) TAG(22:6/20:3n6/22:6) TAG(22:6/20:3W6/22:6) Tracylglycerol(22:6/20:3W6/22:6) 1-Docosahexaenoyl-2-homo-g-linolenoyl-3-docosahexaenoyl-glycerol 1-(4Z,7Z,10Z,13Z,16Z,19Z-Docosahexaenoyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycerol TG(22:6/20:3W6/22:6) TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C67H100O6 1001.5073 1000.751990932 3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate 3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate [H]C(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C67H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,33-34,36-37,40-45,50-51,53-54,64H,4-6,9,12-15,22-24,31-32,35,38-39,46-49,52,55-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,53-50-,54-51- KOSXUHPKKRQMGR-LQJWLDRRSA-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 9.28 ALOGPS logs -7.99 ALOGPS logp 20.61 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate ChemAxon average_mass 1001.5073 ChemAxon mono_mass 1000.751990932 ChemAxon smiles [H]C(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C67H100O6 ChemAxon inchi InChI=1S/C67H100O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,33-34,36-37,40-45,50-51,53-54,64H,4-6,9,12-15,22-24,31-32,35,38-39,46-49,52,55-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,53-50-,54-51- ChemAxon inchikey KOSXUHPKKRQMGR-LQJWLDRRSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 331.66 ChemAxon polarizability 121.48 ChemAxon rotatable_bond_count 51 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 667471 Specdb::MsMs 667472 Specdb::MsMs 667473 Specdb::MsMs 2544718 Specdb::MsMs 2544719 Specdb::MsMs 2544720 Specdb::MsMs 2620358 Specdb::MsMs 2620359 Specdb::MsMs 2620360 Specdb::MsMs 2720880 Specdb::MsMs 2720881 Specdb::MsMs 2720882 Specdb::MsMs 2797043 Specdb::MsMs 2797044 Specdb::MsMs 2797045 Specdb::MsMs 2881511 Specdb::MsMs 2881512 Specdb::MsMs 2881513 131766419