1.0 2020-03-26 10:37:50 UTC 2020-04-22 20:08:45 UTC BMDB0107583 TG(20:3n6/20:3n6/18:4(6Z,9Z,12Z,15Z)) 1-(8Z,11Z,14Z-Eicosatrienoyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-glycerol 1-Homo-g-linolenoyl-2-homo-g-linolenoyl-3-stearidonoyl-glycerol TAG(20:3/20:3/18:4) TAG(20:3n6/20:3n6/18:4) TAG(20:3W6/20:3W6/18:4) TAG(58:10) TG(20:3/20:3/18:4) TG(20:3n6/20:3n6/18:4) TG(20:3W6/20:3W6/18:4) TG(58:10) Tracylglycerol(20:3/20:3/18:4) Tracylglycerol(20:3n6/20:3n6/18:4) Tracylglycerol(20:3W6/20:3W6/18:4) Tracylglycerol(58:10) Triacylglycerol Triglyceride 1-Dihomo-gamma-linolenoyl-2-dihomo-gamma-linolenoyl-3-stearidonoyl-glycerol TG(20:3n6/20:3n6/18:4n3) TG(20:3W6/20:3W6/18:4W3) Tag(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) Tag(20:3n6/20:3n6/18:4n3) Tag(20:3W6/20:3W6/18:4W3) Triacylglycerol(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) Triacylglycerol(20:3/20:3/18:4) Triacylglycerol(20:3n6/20:3n6/18:4n3) Triacylglycerol(20:3W6/20:3W6/18:4W3) Triacylglycerol(58:10) TG(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) TG(20:3n6/20:3n6/18:4(6Z,9Z,12Z,15Z)) C61H98O6 927.449 926.736340876 (2S)-1-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propan-2-yl (8Z,11Z,14Z)-icosa-8,11,14-trienoate (2S)-1-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propan-2-yl (8Z,11Z,14Z)-icosa-8,11,14-trienoate [H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\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/C61H98O6/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/h9,12,16-21,25-29,32-34,36-38,41,58H,4-8,10-11,13-15,22-24,30-31,35,39-40,42-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-/t58-/m1/s1 BXVJGJYAYVJQAZ-MZVISNPXSA-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 Triacylglycerols logp 10.11 ALOGPS logs -8.24 ALOGPS logp 19.75 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propan-2-yl (8Z,11Z,14Z)-icosa-8,11,14-trienoate ChemAxon average_mass 927.449 ChemAxon mono_mass 926.736340876 ChemAxon smiles [H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\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 C61H98O6 ChemAxon inchi InChI=1S/C61H98O6/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/h9,12,16-21,25-29,32-34,36-38,41,58H,4-8,10-11,13-15,22-24,30-31,35,39-40,42-57H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,36-33-,37-34-,41-38-/t58-/m1/s1 ChemAxon inchikey BXVJGJYAYVJQAZ-MZVISNPXSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 298.47 ChemAxon polarizability 116.8 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::CMs 245573 Specdb::MsMs 643252 Specdb::MsMs 643253 Specdb::MsMs 643254 Specdb::MsMs 2623844 Specdb::MsMs 2623845 Specdb::MsMs 2623846 Specdb::MsMs 2731063 Specdb::MsMs 2731064 Specdb::MsMs 2731065 Specdb::MsMs 2802565 Specdb::MsMs 2802566 Specdb::MsMs 2802567 Specdb::MsMs 2878922 Specdb::MsMs 2878923 Specdb::MsMs 2878924 Specdb::MsMs 3106343 Specdb::MsMs 3106344 Specdb::MsMs 3106345 56936898