1.0 2020-03-25 20:38:00 UTC 2020-04-22 19:12:52 UTC BMDB0098771 TG(16:0/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)) 1-Hexadecanoyl-2-(5Z,8Z,11Z-eicosatrienoyl)-3-(8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycerol 1-Palmitoyl-2-meadoyl-3-eicsoatetraenoyl-glycerol TAG(16:0/20:3/20:4) TAG(56:7) TG(16:0/20:3/20:4) TG(56:7) Tracylglycerol(16:0/20:3/20:4) Tracylglycerol(56:7) Triacylglycerol Triglyceride TG(16:0/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)) C59H100O6 905.443 904.75199094 (2S)-3-(hexadecanoyloxy)-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propyl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate (2S)-3-(hexadecanoyloxy)-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propyl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31-32,34-35,41,44,56H,4-6,8-9,11-15,17-18,20-24,29-30,33,36-40,42-43,45-55H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,34-31-,35-32-,44-41-/t56-/m0/s1 WPOTWZWCJSINBM-PNSIZBLYSA-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 10.70 ALOGPS logs -8.12 ALOGPS logp 19.95 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-(hexadecanoyloxy)-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propyl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate ChemAxon average_mass 905.443 ChemAxon mono_mass 904.75199094 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC ChemAxon formula C59H100O6 ChemAxon inchi InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-28,31-32,34-35,41,44,56H,4-6,8-9,11-15,17-18,20-24,29-30,33,36-40,42-43,45-55H2,1-3H3/b10-7-,19-16-,27-25-,28-26-,34-31-,35-32-,44-41-/t56-/m0/s1 ChemAxon inchikey WPOTWZWCJSINBM-PNSIZBLYSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 285.91 ChemAxon polarizability 116.37 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 630154 Specdb::MsMs 630155 Specdb::MsMs 630156 Specdb::MsMs 948727 Specdb::MsMs 948728 Specdb::MsMs 948729 Specdb::MsMs 2373636 Specdb::MsMs 2373637 Specdb::MsMs 2373638 Specdb::MsMs 2431009 Specdb::MsMs 2431010 Specdb::MsMs 2431011 Specdb::MsMs 2507422 Specdb::MsMs 2507423 Specdb::MsMs 2507424 Specdb::MsMs 2538848 Specdb::MsMs 2538849 Specdb::MsMs 2538850 Specdb::MsMs 2751403 Specdb::MsMs 2751404 Specdb::MsMs 2751405 131755256