1.0 2020-03-26 10:34:39 UTC 2020-04-22 20:08:29 UTC BMDB0107542 TG(20:3n6/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)) 1-(8Z,11Z,14Z-Eicosatrienoyl)-2-(9Z,12Z-octadecadienoyl)-3-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-glycerol 1-Homo-g-linolenoyl-2-linoleoyl-3-arachidonoyl-glycerol TAG(20:3/18:2/20:4) TAG(20:3n6/18:2/20:4) TAG(20:3W6/18:2/20:4) TAG(58:9) TG(20:3/18:2/20:4) TG(20:3n6/18:2/20:4) TG(20:3W6/18:2/20:4) TG(58:9) Tracylglycerol(20:3/18:2/20:4) Tracylglycerol(20:3n6/18:2/20:4) Tracylglycerol(20:3W6/18:2/20:4) Tracylglycerol(58:9) Triacylglycerol Triglyceride 1-Dihomo-gamma-linolenoyl-2-linoleoyl-3-arachidonoyl-glycerol TG(20:3n6/18:2n6/20:4n6) TG(20:3W6/18:2W6/20:4W6) Tag(20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)) Tag(20:3n6/18:2n6/20:4n6) Tag(20:3W6/18:2W6/20:4W6) Triacylglycerol(20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)) Triacylglycerol(20:3/18:2/20:4) Triacylglycerol(20:3n6/18:2n6/20:4n6) Triacylglycerol(20:3W6/18:2W6/20:4W6) Triacylglycerol(58:9) TG(20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)) TG(20:3n6/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)) C61H100O6 929.465 928.75199094 (2S)-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate (2S)-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate [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/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC 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/h16-21,25-29,32-36,41,44,58H,4-15,22-24,30-31,37-40,42-43,45-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-/t58-/m1/s1 KHZPETPDRIQAAN-OWTJIZOASA-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 10.38 ALOGPS logs -8.30 ALOGPS logp 20.11 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate 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/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC 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/h16-21,25-29,32-36,41,44,58H,4-15,22-24,30-31,37-40,42-43,45-57H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-/t58-/m1/s1 ChemAxon inchikey KHZPETPDRIQAAN-OWTJIZOASA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 297.35 ChemAxon polarizability 117.92 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 574300 Specdb::MsMs 574301 Specdb::MsMs 574302 Specdb::MsMs 926239 Specdb::MsMs 926240 Specdb::MsMs 926241 Specdb::MsMs 2346089 Specdb::MsMs 2346090 Specdb::MsMs 2346091 Specdb::MsMs 2720334 Specdb::MsMs 2720335 Specdb::MsMs 2720336 Specdb::MsMs 2749978 Specdb::MsMs 2749979 Specdb::MsMs 2749980 Specdb::MsMs 2957763 Specdb::MsMs 2957764 Specdb::MsMs 2957765 Specdb::MsMs 2984036 Specdb::MsMs 2984037 Specdb::MsMs 2984038 131764470