1.0 2020-03-25 20:53:24 UTC 2020-04-22 19:14:02 UTC BMDB0098955 TG(16:0/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1-Hexadecanoyl-2-(13Z,16Z-docosadienoyl)-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycerol 1-Palmitoyl-2-docosadienoyl-3-docosahexaenoyl-glycerol TAG(16:0/22:2/22:6) TAG(60:8) TG(16:0/22:2/22:6) TG(60:8) Tracylglycerol(16:0/22:2/22:6) Tracylglycerol(60:8) Triacylglycerol Triglyceride TG(16:0/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H106O6 959.535 958.798941133 (2S)-2-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-(hexadecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate (2S)-2-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-(hexadecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31,33,38,41,47,50,60H,4-6,8-9,11-15,18,21-24,29-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,41-38-,50-47-/t60-/m0/s1 SUSVIZFJFDUVRG-JDXMBPTESA-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 10.78 ALOGPS logs -8.25 ALOGPS logp 21.36 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-(hexadecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate ChemAxon average_mass 959.535 ChemAxon mono_mass 958.798941133 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC ChemAxon formula C63H106O6 ChemAxon inchi InChI=1S/C63H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-28,31,33,38,41,47,50,60H,4-6,8-9,11-15,18,21-24,29-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,20-17-,27-25-,28-26-,33-31-,41-38-,50-47-/t60-/m0/s1 ChemAxon inchikey SUSVIZFJFDUVRG-JDXMBPTESA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 305.44 ChemAxon polarizability 123.62 ChemAxon rotatable_bond_count 54 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 223525 Specdb::MsMs 662077 Specdb::MsMs 662078 Specdb::MsMs 662079 Specdb::MsMs 961429 Specdb::MsMs 961430 Specdb::MsMs 961431 Specdb::MsMs 2630699 Specdb::MsMs 2630700 Specdb::MsMs 2630701 Specdb::MsMs 2653253 Specdb::MsMs 2653254 Specdb::MsMs 2653255 Specdb::MsMs 2737630 Specdb::MsMs 2737631 Specdb::MsMs 2737632 Specdb::MsMs 2771207 Specdb::MsMs 2771208 Specdb::MsMs 2771209 Specdb::MsMs 2907813 Specdb::MsMs 2907814 Specdb::MsMs 2907815 131755472