1.0 2020-03-26 00:01:02 UTC 2020-04-22 19:22:17 UTC BMDB0100259 TG(20:0/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z)) 1-Arachidonyl-2-homo-g-linolenoyl-3-eicosapentaenoyl-glycerol 1-Eicosanoyl-2-(8Z,11Z,14Z-eicosatrienoyl)-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycerol TAG(20:0/20:3/20:5) TAG(20:0/20:3n6/20:5) TAG(20:0/20:3W6/20:5) TAG(60:8) TG(20:0/20:3/20:5) TG(20:0/20:3n6/20:5) TG(20:0/20:3W6/20:5) TG(60:8) Tracylglycerol(20:0/20:3/20:5) Tracylglycerol(20:0/20:3n6/20:5) Tracylglycerol(20:0/20:3W6/20:5) Tracylglycerol(60:8) Triacylglycerol Triglyceride 1-Arachidoyl-2-dihomo-gamma-linolenoyl-3-eicosapentaenoyl-glycerol TG(20:0/20:3n6/20:5n3) TG(20:0/20:3W6/20:5W3) Tag(20:0/20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)) Tag(20:0/20:3n6/20:5n3) Tag(20:0/20:3W6/20:5W3) Triacylglycerol(20:0/20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)) Triacylglycerol(20:0/20:3/20:5) Triacylglycerol(20:0/20:3n6/20:5n3) Triacylglycerol(20:0/20:3W6/20:5W3) Triacylglycerol(60:8) TG(20:0/20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)) TG(20:0/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z)) C63H106O6 959.535 958.798941133 (2S)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-(icosanoyloxy)propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate (2S)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-(icosanoyloxy)propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C63H106O6/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/h7,10,16,18-19,21,25,27-28,30,34,36-37,39,43,46,60H,4-6,8-9,11-15,17,20,22-24,26,29,31-33,35,38,40-42,44-45,47-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-/t60-/m1/s1 DEGARZFHWKYSKY-QTOSBFDXSA-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 10.76 ALOGPS logs -8.25 ALOGPS logp 21.36 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-(icosanoyloxy)propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate ChemAxon average_mass 959.535 ChemAxon mono_mass 958.798941133 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C63H106O6 ChemAxon inchi InChI=1S/C63H106O6/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/h7,10,16,18-19,21,25,27-28,30,34,36-37,39,43,46,60H,4-6,8-9,11-15,17,20,22-24,26,29,31-33,35,38,40-42,44-45,47-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-/t60-/m1/s1 ChemAxon inchikey DEGARZFHWKYSKY-QTOSBFDXSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 305.44 ChemAxon polarizability 123.89 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::MsMs 578458 Specdb::MsMs 578459 Specdb::MsMs 578460 Specdb::MsMs 927874 Specdb::MsMs 927875 Specdb::MsMs 927876 Specdb::MsMs 2379462 Specdb::MsMs 2379463 Specdb::MsMs 2379464 Specdb::MsMs 2754634 Specdb::MsMs 2754635 Specdb::MsMs 2754636 Specdb::MsMs 2907933 Specdb::MsMs 2907934 Specdb::MsMs 2907935 Specdb::MsMs 3050903 Specdb::MsMs 3050904 Specdb::MsMs 3050905 Specdb::MsMs 3119125 Specdb::MsMs 3119126 Specdb::MsMs 3119127 131756931