1.0 2020-03-26 12:57:14 UTC 2020-04-22 20:20:02 UTC BMDB0109364 TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1-(5Z,8Z,11Z,14Z,17Z-Eicosapentaenoyl)-2-octadecanoyl-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycerol 1-Eicosapentaenoyl-2-stearoyl-3-docosahexaenoyl-glycerol TAG(20:5/18:0/22:6) TAG(60:11) TG(20:5/18:0/22:6) TG(60:11) Tracylglycerol(20:5/18:0/22:6) Tracylglycerol(60:11) Triacylglycerol Triglyceride TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C63H100O6 953.487 952.75199094 (2S)-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-2-(octadecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate (2S)-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-2-(octadecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate [H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,31,33,35,37-38,41,43,46-47,50,60H,4-6,9,12-15,18,21-24,27,30,32,34,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-,50-47-/t60-/m0/s1 HNUYKTOGWYOCHC-SBCIZOTISA-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 10.15 ALOGPS logs -8.19 ALOGPS logp 20.28 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-2-(octadecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate ChemAxon average_mass 953.487 ChemAxon mono_mass 952.75199094 ChemAxon smiles [H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC ChemAxon formula C63H100O6 ChemAxon inchi InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,31,33,35,37-38,41,43,46-47,50,60H,4-6,9,12-15,18,21-24,27,30,32,34,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,33-31-,37-35-,41-38-,46-43-,50-47-/t60-/m0/s1 ChemAxon inchikey HNUYKTOGWYOCHC-SBCIZOTISA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 308.78 ChemAxon polarizability 119.71 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::CMs 228692 Specdb::MsMs 654661 Specdb::MsMs 654662 Specdb::MsMs 654663 Specdb::MsMs 958429 Specdb::MsMs 958430 Specdb::MsMs 958431 Specdb::MsMs 2543237 Specdb::MsMs 2543238 Specdb::MsMs 2543239 Specdb::MsMs 2757951 Specdb::MsMs 2757952 Specdb::MsMs 2757953 Specdb::MsMs 2946381 Specdb::MsMs 2946382 Specdb::MsMs 2946383 Specdb::MsMs 3042946 Specdb::MsMs 3042947 Specdb::MsMs 3042948 Specdb::MsMs 3097648 Specdb::MsMs 3097649 Specdb::MsMs 3097650 131766218