1.0 2020-03-26 13:05:43 UTC 2020-04-22 20:20:33 UTC BMDB0109445 TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) Triacylglycerol TAG(20:5/20:5/20:5) Tracylglycerol(60:15) Triglyceride 1-Eicosapentaenoyl-2-eicosapentaenoyl-3-eicosapentaenoyl-glycerol TG(20:5/20:5/20:5) Tracylglycerol(20:5/20:5/20:5) TAG(60:15) 1-(5Z,8Z,11Z,14Z,17Z-Eicosapentaenoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycerol TG(60:15) TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 1,2,3-Trieicosapentaenoyl glycerol EPA-TG C63H92O6 945.401 944.689390676 1,3-bis[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]propan-2-yl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate 1,3-bis[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]propan-2-yl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate [H]C(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C63H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,34-39,43-48,60H,4-6,13-15,22-24,31-33,40-42,49-59H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45- SHYCFZYQNVKAAU-UZBXBHHFSA-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 logp 8.94 ALOGPS logs -7.75 ALOGPS logp 18.83 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 1,3-bis[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]propan-2-yl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate ChemAxon average_mass 945.401 ChemAxon mono_mass 944.689390676 ChemAxon smiles [H]C(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C63H92O6 ChemAxon inchi InChI=1S/C63H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,34-39,43-48,60H,4-6,13-15,22-24,31-33,40-42,49-59H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45- ChemAxon inchikey SHYCFZYQNVKAAU-UZBXBHHFSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 313.25 ChemAxon polarizability 114.7 ChemAxon rotatable_bond_count 47 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 665953 Specdb::MsMs 665954 Specdb::MsMs 665955 Specdb::MsMs 2289402 Specdb::MsMs 2289403 Specdb::MsMs 2289404 Specdb::MsMs 2318948 Specdb::MsMs 2318949 Specdb::MsMs 2318950 Specdb::MsMs 2584985 Specdb::MsMs 2584986 Specdb::MsMs 2584987 Specdb::MsMs 2619260 Specdb::MsMs 2619261 Specdb::MsMs 2619262 Specdb::MsMs 2691821 Specdb::MsMs 2691822 Specdb::MsMs 2691823 9545999