1.0 2020-03-26 12:32:10 UTC 2020-04-22 20:18:01 UTC BMDB0109044 TG(18:4(6Z,9Z,12Z,15Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1-(6Z,9Z,12Z,15Z-Octadecatetraenoyl)-2-octadecanoyl-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycerol 1-Stearidonoyl-2-stearoyl-3-docosahexaenoyl-glycerol TAG(18:4/18:0/22:6) TAG(58:10) TG(18:4/18:0/22:6) TG(58:10) Tracylglycerol(18:4/18:0/22:6) Tracylglycerol(58:10) Triacylglycerol Triglyceride TG(18:4(6Z,9Z,12Z,15Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C61H98O6 927.449 926.736340876 (2S)-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-2-(octadecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate (2S)-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-2-(octadecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate [H][C@](COC(=O)CCCC\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)CCCCCCCCCCCCCCCCC InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28,30-32,36,38-39,41,45,48,58H,4-6,9,12-15,18,21-24,27,29,33-35,37,40,42-44,46-47,49-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,39-36-,41-38-,48-45-/t58-/m0/s1 DLAXXBTYQKOUJF-ULSSREMVSA-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 10.24 ALOGPS logs -8.26 ALOGPS logp 19.75 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-2-(octadecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate ChemAxon average_mass 927.449 ChemAxon mono_mass 926.736340876 ChemAxon smiles [H][C@](COC(=O)CCCC\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)CCCCCCCCCCCCCCCCC ChemAxon formula C61H98O6 ChemAxon inchi InChI=1S/C61H98O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28,30-32,36,38-39,41,45,48,58H,4-6,9,12-15,18,21-24,27,29,33-35,37,40,42-44,46-47,49-57H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,31-30-,32-26-,39-36-,41-38-,48-45-/t58-/m0/s1 ChemAxon inchikey DLAXXBTYQKOUJF-ULSSREMVSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 298.47 ChemAxon polarizability 116.41 ChemAxon rotatable_bond_count 50 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 673501 Specdb::MsMs 673502 Specdb::MsMs 673503 Specdb::MsMs 965932 Specdb::MsMs 965933 Specdb::MsMs 965934 Specdb::MsMs 2275704 Specdb::MsMs 2275705 Specdb::MsMs 2275706 Specdb::MsMs 2878319 Specdb::MsMs 2878320 Specdb::MsMs 2878321 Specdb::MsMs 3028050 Specdb::MsMs 3028051 Specdb::MsMs 3028052 Specdb::MsMs 3054449 Specdb::MsMs 3054450 Specdb::MsMs 3054451 Specdb::MsMs 3115827 Specdb::MsMs 3115828 Specdb::MsMs 3115829 Specdb::CMs 213668 131765900