1.0 2020-03-26 09:25:40 UTC 2020-04-22 20:02:43 UTC BMDB0106630 TG(18:3(6Z,9Z,12Z)/20:0/22:2(13Z,16Z)) Triacylglycerol TG(60:5) Tracylglycerol(60:5) TAG(60:5) Triglyceride TG(18:3/20:0/22:2) TAG(18:3/20:0/22:2) Tracylglycerol(18:3/20:0/22:2) 1-(6Z,9Z,12Z-Octadecatrienoyl)-2-eicosanoyl-3-(13Z,16Z-docosadienoyl)-glycerol 1-g-Linolenoyl-2-arachidonyl-3-docosadienoyl-glycerol TG(18:3(6Z,9Z,12Z)/20:0/22:2(13Z,16Z)) 2-(Icosanoyloxy)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (13Z)-docosa-13,16-dienoic acid C63H112O6 965.5598 964.845891316 2-(icosanoyloxy)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (13Z,16Z)-docosa-13,16-dienoate 2-(icosanoyloxy)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (13Z,16Z)-docosa-13,16-dienoate CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,34,40,43,60H,4-15,17,20,22-24,26,29-33,35-39,41-42,44-59H2,1-3H3/b19-16-,21-18-,28-25-,34-27-,43-40- PTMJQDBEENYEHE-LLHZFHSZSA-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 10.91 ALOGPS logs -8.20 ALOGPS logp 22.45 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 2-(icosanoyloxy)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (13Z,16Z)-docosa-13,16-dienoate ChemAxon average_mass 965.5598 ChemAxon mono_mass 964.845891316 ChemAxon smiles CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C63H112O6 ChemAxon inchi InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25,27-28,34,40,43,60H,4-15,17,20,22-24,26,29-33,35-39,41-42,44-59H2,1-3H3/b19-16-,21-18-,28-25-,34-27-,43-40- ChemAxon inchikey PTMJQDBEENYEHE-LLHZFHSZSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 302.09 ChemAxon polarizability 127.92 ChemAxon rotatable_bond_count 57 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 592666 Specdb::MsMs 592667 Specdb::MsMs 592668 Specdb::MsMs 2510512 Specdb::MsMs 2510513 Specdb::MsMs 2510514 Specdb::MsMs 2830651 Specdb::MsMs 2830652 Specdb::MsMs 2830653 Specdb::MsMs 2970570 Specdb::MsMs 2970571 Specdb::MsMs 2970572 Specdb::MsMs 3052529 Specdb::MsMs 3052530 Specdb::MsMs 3052531 Specdb::MsMs 3115360 Specdb::MsMs 3115361 Specdb::MsMs 3115362 131763556