1.0 2020-03-26 07:28:13 UTC 2020-04-22 19:53:06 UTC BMDB0105122 TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/20:3n6) 1-(5Z,8Z,11Z-Eicosatrienoyl)-2-(9Z,12Z,15Z-octadeatrienoyl)-3-(8Z,11Z,14Z-eicosatrienoyl)-glycerol 1-Meadoyl-2-a-linolenoyl-3-homo-g-linolenoyl-glycerol TAG(20:3/18:3/20:3) TAG(20:3/18:3/20:3n6) TAG(20:3/18:3/20:3W6) TAG(58:9) TG(20:3/18:3/20:3) TG(20:3/18:3/20:3n6) TG(20:3/18:3/20:3W6) TG(58:9) Tracylglycerol(20:3/18:3/20:3) Tracylglycerol(20:3/18:3/20:3n6) Tracylglycerol(20:3/18:3/20:3W6) Tracylglycerol(58:9) Triacylglycerol Triglyceride 1-Meadoyl-2-alpha-linolenoyl-3-dihomo-gamma-linolenoyl-glycerol TG(20:3n9/18:3n3/20:3n6) TG(20:3W9/18:3W3/20:3W6) Tag(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)) Tag(20:3n9/18:3n3/20:3n6) Tag(20:3W9/18:3W3/20:3W6) Triacylglycerol(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)) Triacylglycerol(20:3/18:3/20:3) Triacylglycerol(20:3n9/18:3n3/20:3n6) Triacylglycerol(20:3W9/18:3W3/20:3W6) Triacylglycerol(58:9) TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)) TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/20:3n6) C61H100O6 929.465 928.75199094 (2R)-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate (2R)-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate [H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32-36,42,45,58H,4-8,10-11,13-15,17,20,22-24,30-31,37-41,43-44,46-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,45-42-/t58-/m1/s1 LCXWQEDXFRQOTK-QOCBSASKSA-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 10.39 ALOGPS logs -8.31 ALOGPS logp 20.11 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate ChemAxon average_mass 929.465 ChemAxon mono_mass 928.75199094 ChemAxon smiles [H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC ChemAxon formula C61H100O6 ChemAxon inchi InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h9,12,16,18-19,21,25-29,32-36,42,45,58H,4-8,10-11,13-15,17,20,22-24,30-31,37-41,43-44,46-57H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,45-42-/t58-/m1/s1 ChemAxon inchikey LCXWQEDXFRQOTK-QOCBSASKSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 297.35 ChemAxon polarizability 118.3 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 668920 Specdb::MsMs 668921 Specdb::MsMs 668922 Specdb::MsMs 964123 Specdb::MsMs 964124 Specdb::MsMs 964125 Specdb::MsMs 2407790 Specdb::MsMs 2407791 Specdb::MsMs 2407792 Specdb::MsMs 2936800 Specdb::MsMs 2936801 Specdb::MsMs 2936802 Specdb::MsMs 3056507 Specdb::MsMs 3056508 Specdb::MsMs 3056509 Specdb::MsMs 3058336 Specdb::MsMs 3058337 Specdb::MsMs 3058338 Specdb::MsMs 3107966 Specdb::MsMs 3107967 Specdb::MsMs 3107968 131762020