1.0 2020-03-25 20:48:28 UTC 2020-04-22 19:13:41 UTC BMDB0098900 TG(16:0/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1-Hexadecanoyl-2-(8Z,11Z,14Z-eicosatrienoyl)-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycerol 1-Palmitoyl-2-homo-g-linolenoyl-3-docosahexaenoyl-glycerol TAG(16:0/20:3/22:6) TAG(16:0/20:3n6/22:6) TAG(16:0/20:3W6/22:6) TAG(58:9) TG(16:0/20:3/22:6) TG(16:0/20:3n6/22:6) TG(16:0/20:3W6/22:6) TG(58:9) Tracylglycerol(16:0/20:3/22:6) Tracylglycerol(16:0/20:3n6/22:6) Tracylglycerol(16:0/20:3W6/22:6) Tracylglycerol(58:9) Triacylglycerol Triglyceride 1-Palmitoyl-2-dihomo-gamma-linolenoyl-3-docosahexaenoyl-glycerol TG(16:0/20:3n6/22:6n3) TG(16:0/20:3W6/22:6W3) Tag(16:0/20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Tag(16:0/20:3n6/22:6n3) Tag(16:0/20:3W6/22:6W3) Triacylglycerol(16:0/20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Triacylglycerol(16:0/20:3/22:6) Triacylglycerol(16:0/20:3n6/22:6n3) Triacylglycerol(16:0/20:3W6/22:6W3) Triacylglycerol(58:9) TG(16:0/20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) TG(16:0/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C61H100O6 929.465 928.75199094 (2S)-3-(hexadecanoyloxy)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate (2S)-3-(hexadecanoyloxy)-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)CCCCCCCCCCCCCCC)(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/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32,34,36-37,39,45,48,58H,4-6,8-9,11-15,18,21-24,29,31,33,35,38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,37-34-,39-36-,48-45-/t58-/m0/s1 MFZCHKPXKUSCPD-DNCAVDJCSA-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 10.46 ALOGPS logs -8.32 ALOGPS logp 20.11 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-(hexadecanoyloxy)-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 929.465 ChemAxon mono_mass 928.75199094 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCC)(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 C61H100O6 ChemAxon inchi InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,30,32,34,36-37,39,45,48,58H,4-6,8-9,11-15,18,21-24,29,31,33,35,38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,32-30-,37-34-,39-36-,48-45-/t58-/m0/s1 ChemAxon inchikey MFZCHKPXKUSCPD-DNCAVDJCSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 297.35 ChemAxon polarizability 117.85 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::CMs 200948 Specdb::MsMs 586831 Specdb::MsMs 586832 Specdb::MsMs 586833 Specdb::MsMs 931219 Specdb::MsMs 931220 Specdb::MsMs 931221 Specdb::MsMs 2469040 Specdb::MsMs 2469041 Specdb::MsMs 2469042 Specdb::MsMs 2522010 Specdb::MsMs 2522011 Specdb::MsMs 2522012 Specdb::MsMs 2705159 Specdb::MsMs 2705160 Specdb::MsMs 2705161 Specdb::MsMs 2835921 Specdb::MsMs 2835922 Specdb::MsMs 2835923 Specdb::MsMs 3002959 Specdb::MsMs 3002960 Specdb::MsMs 3002961 131755417