1.0 2020-03-26 10:35:54 UTC 2020-04-22 20:08:36 UTC BMDB0107558 TG(20:3n6/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)) 1-(8Z,11Z,14Z-Eicosatrienoyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-3-(9Z,12Z,15Z-octadeatrienoyl)-glycerol 1-Homo-g-linolenoyl-2-g-linolenoyl-3-a-linolenoyl-glycerol TAG(20:3/18:3/18:3) TAG(20:3n6/18:3/18:3) TAG(20:3W6/18:3/18:3) TAG(56:9) TG(20:3/18:3/18:3) TG(20:3n6/18:3/18:3) TG(20:3W6/18:3/18:3) TG(56:9) Tracylglycerol(20:3/18:3/18:3) Tracylglycerol(20:3n6/18:3/18:3) Tracylglycerol(20:3W6/18:3/18:3) Tracylglycerol(56:9) Triacylglycerol Triglyceride 1-Dihomo-gamma-linolenoyl-2-gamma-linolenoyl-3-alpha-linolenoyl-glycerol TG(20:3n6/18:3n6/18:3n3) TG(20:3W6/18:3W6/18:3W3) Tag(20:3(8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)) Tag(20:3n6/18:3n6/18:3n3) Tag(20:3W6/18:3W6/18:3W3) Triacylglycerol(20:3(8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)) Triacylglycerol(20:3/18:3/18:3) Triacylglycerol(20:3n6/18:3n6/18:3n3) Triacylglycerol(20:3W6/18:3W6/18:3W3) Triacylglycerol(56:9) TG(20:3(8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)) TG(20:3n6/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)) C59H96O6 901.411 900.720690811 (2R)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (8Z,11Z,14Z)-icosa-8,11,14-trienoate (2R)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (8Z,11Z,14Z)-icosa-8,11,14-trienoate [H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-28,30-32,34,38,41,56H,4-7,9-10,12-15,22-24,29,33,35-37,39-40,42-55H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,41-38-/t56-/m1/s1 PMIXGVBCAUCGTR-VZNZLLHPSA-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 10.20 ALOGPS logs -8.27 ALOGPS logp 19.22 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (8Z,11Z,14Z)-icosa-8,11,14-trienoate ChemAxon average_mass 901.411 ChemAxon mono_mass 900.720690811 ChemAxon smiles [H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C59H96O6 ChemAxon inchi InChI=1S/C59H96O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-28,30-32,34,38,41,56H,4-7,9-10,12-15,22-24,29,33,35-37,39-40,42-55H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,41-38-/t56-/m1/s1 ChemAxon inchikey PMIXGVBCAUCGTR-VZNZLLHPSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 288.15 ChemAxon polarizability 113.99 ChemAxon rotatable_bond_count 49 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 684883 Specdb::MsMs 684884 Specdb::MsMs 684885 Specdb::MsMs 970513 Specdb::MsMs 970514 Specdb::MsMs 970515 Specdb::MsMs 2456151 Specdb::MsMs 2456152 Specdb::MsMs 2456153 Specdb::MsMs 2479135 Specdb::MsMs 2479136 Specdb::MsMs 2479137 Specdb::MsMs 2520566 Specdb::MsMs 2520567 Specdb::MsMs 2520568 Specdb::MsMs 2833452 Specdb::MsMs 2833453 Specdb::MsMs 2833454 Specdb::MsMs 2834280 Specdb::MsMs 2834281 Specdb::MsMs 2834282 131764486