1.0 2020-03-26 10:47:31 UTC 2020-04-22 20:09:32 UTC BMDB0107706 TG(20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 1-(8Z,11Z,14Z-Eicosatrienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-glycerol 1-Homo-g-linolenoyl-2-docosahexaenoyl-3-docosapentaenoyl-glycerol TAG(20:3/22:6/22:5) TAG(20:3n6/22:6/22:5) TAG(20:3W6/22:6/22:5) TAG(64:14) TG(20:3/22:6/22:5) TG(20:3n6/22:6/22:5) TG(20:3W6/22:6/22:5) TG(64:14) Tracylglycerol(20:3/22:6/22:5) Tracylglycerol(20:3n6/22:6/22:5) Tracylglycerol(20:3W6/22:6/22:5) Tracylglycerol(64:14) Triacylglycerol Triglyceride 1-Dihomo-gamma-linolenoyl-2-docosahexaenoyl-3-clupanodonoyl-glycerol TG(20:3n6/22:6n3/22:5n3) TG(20:3W6/22:6W3/22:5W3) Tag(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) Tag(20:3n6/22:6n3/22:5n3) Tag(20:3W6/22:6W3/22:5W3) Triacylglycerol(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) Triacylglycerol(20:3/22:6/22:5) Triacylglycerol(20:3n6/22:6n3/22:5n3) Triacylglycerol(20:3W6/22:6W3/22:5W3) Triacylglycerol(64:14) TG(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) TG(20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C67H102O6 1003.547 1002.767641004 (2S)-1-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate (2S)-1-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate [H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,33-34,36-38,41-43,45-46,52,55,64H,4-6,9,12-15,22-24,31-32,35,39-40,44,47-51,53-54,56-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,55-52-/t64-/m0/s1 FPFJYQMTQKHYIG-XXIJEKSVSA-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 9.46 ALOGPS logs -8.05 ALOGPS logp 20.97 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate ChemAxon average_mass 1003.547 ChemAxon mono_mass 1002.767641004 ChemAxon smiles [H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C67H102O6 ChemAxon inchi InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-30,33-34,36-38,41-43,45-46,52,55,64H,4-6,9,12-15,22-24,31-32,35,39-40,44,47-51,53-54,56-63H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-,55-52-/t64-/m0/s1 ChemAxon inchikey FPFJYQMTQKHYIG-XXIJEKSVSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 330.54 ChemAxon polarizability 123.28 ChemAxon rotatable_bond_count 52 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 597703 Specdb::MsMs 597704 Specdb::MsMs 597705 Specdb::MsMs 935635 Specdb::MsMs 935636 Specdb::MsMs 935637 Specdb::MsMs 2335366 Specdb::MsMs 2335367 Specdb::MsMs 2335368 Specdb::MsMs 2560725 Specdb::MsMs 2560726 Specdb::MsMs 2560727 Specdb::MsMs 2626934 Specdb::MsMs 2626935 Specdb::MsMs 2626936 Specdb::MsMs 2766983 Specdb::MsMs 2766984 Specdb::MsMs 2766985 Specdb::MsMs 2799637 Specdb::MsMs 2799638 Specdb::MsMs 2799639 131764625