1.0 2020-03-26 10:16:05 UTC 2020-04-22 20:06:59 UTC BMDB0107303 TG(20:2n6/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)) 1-(11Z,14Z-Eicosadienoyl)-2-(8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-(9Z,12Z,15Z-octadeatrienoyl)-glycerol 1-Eicosadienoyl-2-eicsoatetraenoyl-3-a-linolenoyl-glycerol TAG(20:2/20:4/18:3) TAG(20:2n6/20:4/18:3) TAG(20:2W6/20:4/18:3) TAG(58:9) TG(20:2/20:4/18:3) TG(20:2n6/20:4/18:3) TG(20:2W6/20:4/18:3) TG(58:9) Tracylglycerol(20:2/20:4/18:3) Tracylglycerol(20:2n6/20:4/18:3) Tracylglycerol(20:2W6/20:4/18:3) Tracylglycerol(58:9) Triacylglycerol Triglyceride 1-Eicosadienoyl-2-eicosatetraenoyl-3-alpha-linolenoyl-glycerol TG(20:2n6/20:4n3/18:3n3) TG(20:2W6/20:4W3/18:3W3) Tag(20:2(11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)) Tag(20:2n6/20:4n3/18:3n3) Tag(20:2W6/20:4W3/18:3W3) Triacylglycerol(20:2(11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)) Triacylglycerol(20:2/20:4/18:3) Triacylglycerol(20:2n6/20:4n3/18:3n3) Triacylglycerol(20:2W6/20:4W3/18:3W3) Triacylglycerol(58:9) TG(20:2(11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)) TG(20:2n6/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)) C61H100O6 929.465 928.75199094 (2S)-1-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate (2S)-1-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate [H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,32,34,37,58H,4-7,10,13-15,22-24,30-31,33,35-36,38-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,37-34-/t58-/m1/s1 DASXRHLJIBWYGU-WNZMQVGXSA-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 10.34 ALOGPS logs -8.29 ALOGPS logp 20.11 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate ChemAxon average_mass 929.465 ChemAxon mono_mass 928.75199094 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C61H100O6 ChemAxon inchi InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,32,34,37,58H,4-7,10,13-15,22-24,30-31,33,35-36,38-57H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,37-34-/t58-/m1/s1 ChemAxon inchikey DASXRHLJIBWYGU-WNZMQVGXSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 297.35 ChemAxon polarizability 119.5 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 621580 Specdb::MsMs 621581 Specdb::MsMs 621582 Specdb::MsMs 945256 Specdb::MsMs 945257 Specdb::MsMs 945258 Specdb::MsMs 2400246 Specdb::MsMs 2400247 Specdb::MsMs 2400248 Specdb::MsMs 2538944 Specdb::MsMs 2538945 Specdb::MsMs 2538946 Specdb::MsMs 2620169 Specdb::MsMs 2620170 Specdb::MsMs 2620171 Specdb::MsMs 2714380 Specdb::MsMs 2714381 Specdb::MsMs 2714382 Specdb::MsMs 2720265 Specdb::MsMs 2720266 Specdb::MsMs 2720267 131764235