1.0 2020-03-26 07:29:30 UTC 2020-04-22 19:53:12 UTC BMDB0105137 TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z)) 1-(5Z,8Z,11Z-Eicosatrienoyl)-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-3-(9Z,12Z-octadecadienoyl)-glycerol 1-Meadoyl-2-stearidonoyl-3-linoleoyl-glycerol TAG(20:3/18:4/18:2) TAG(56:9) TG(20:3/18:4/18:2) TG(56:9) Tracylglycerol(20:3/18:4/18:2) Tracylglycerol(56:9) Triacylglycerol Triglyceride TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z)) C59H96O6 901.411 900.720690811 (2R)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate (2R)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate [H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC 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/h9,12,17-18,20-21,25-28,30-32,34,38,40-41,43,56H,4-8,10-11,13-16,19,22-24,29,33,35-37,39,42,44-55H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,41-38-,43-40-/t56-/m1/s1 HEYPQMCFNJLJQQ-LKPWAZGISA-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 10.24 ALOGPS logs -8.25 ALOGPS logp 19.22 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate ChemAxon average_mass 901.411 ChemAxon mono_mass 900.720690811 ChemAxon smiles [H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC 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/h9,12,17-18,20-21,25-28,30-32,34,38,40-41,43,56H,4-8,10-11,13-16,19,22-24,29,33,35-37,39,42,44-55H2,1-3H3/b12-9-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,41-38-,43-40-/t56-/m1/s1 ChemAxon inchikey HEYPQMCFNJLJQQ-LKPWAZGISA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 288.15 ChemAxon polarizability 114.74 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::CMs 245182 Specdb::MsMs 649432 Specdb::MsMs 649433 Specdb::MsMs 649434 Specdb::MsMs 956476 Specdb::MsMs 956477 Specdb::MsMs 956478 Specdb::MsMs 2317637 Specdb::MsMs 2317638 Specdb::MsMs 2317639 Specdb::MsMs 2350936 Specdb::MsMs 2350937 Specdb::MsMs 2350938 Specdb::MsMs 2448263 Specdb::MsMs 2448264 Specdb::MsMs 2448265 Specdb::MsMs 2617655 Specdb::MsMs 2617656 Specdb::MsMs 2617657 Specdb::MsMs 2869170 Specdb::MsMs 2869171 Specdb::MsMs 2869172 131762035