1.0 2020-03-25 16:19:03 UTC 2020-05-21 16:27:58 UTC BMDB0096862 TG(20:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z)) 1-Arachidonyl-2-eicosenoyl-3-arachidonoyl-glycerol TAG(20:0/20:1/20:4) TAG(20:0/20:1n9/20:4n6) TAG(20:0/20:1W9/20:4W6) TAG(60:5) TG(20:0/20:1/20:4) TG(20:0/20:1n9/20:4n6) TG(20:0/20:1W9/20:4W6) TG(60:5) Tracylglycerol(20:0/20:1/20:4) Tracylglycerol(20:0/20:1n9/20:4n6) Tracylglycerol(20:0/20:1W9/20:4W6) Tracylglycerol(60:5) Triacylglycerol Triglyceride 1-Eicosanoyl-2-(11-eicosenoyl)-3-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-glycerol TG(20:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z)) C63H112O6 965.583 964.845891326 (2S)-2-[(11Z)-icos-11-enoyloxy]-3-(icosanoyloxy)propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate (2S)-2-[(11Z)-icos-11-enoyloxy]-3-(icosanoyloxy)propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC InChI=1S/C63H112O6/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/h16,19,25,27-28,30,34,37,43,46,60H,4-15,17-18,20-24,26,29,31-33,35-36,38-42,44-45,47-59H2,1-3H3/b19-16-,28-25-,30-27-,37-34-,46-43-/t60-/m1/s1 VRTWSWFWQKBUDP-ZWVRCNAISA-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 10.90 ALOGPS logs -8.20 ALOGPS logp 22.45 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(11Z)-icos-11-enoyloxy]-3-(icosanoyloxy)propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate ChemAxon average_mass 965.583 ChemAxon mono_mass 964.845891326 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C63H112O6 ChemAxon inchi InChI=1S/C63H112O6/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/h16,19,25,27-28,30,34,37,43,46,60H,4-15,17-18,20-24,26,29,31-33,35-36,38-42,44-45,47-59H2,1-3H3/b19-16-,28-25-,30-27-,37-34-,46-43-/t60-/m1/s1 ChemAxon inchikey VRTWSWFWQKBUDP-ZWVRCNAISA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 302.09 ChemAxon polarizability 128.09 ChemAxon rotatable_bond_count 57 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 595252 Specdb::MsMs 595253 Specdb::MsMs 595254 Specdb::MsMs 934642 Specdb::MsMs 934643 Specdb::MsMs 934644 Specdb::MsMs 2321767 Specdb::MsMs 2321768 Specdb::MsMs 2321769 Specdb::MsMs 2775194 Specdb::MsMs 2775195 Specdb::MsMs 2775196 Specdb::MsMs 2907072 Specdb::MsMs 2907073 Specdb::MsMs 2907074 Specdb::MsMs 2964654 Specdb::MsMs 2964655 Specdb::MsMs 2964656 Specdb::MsMs 3073284 Specdb::MsMs 3073285 Specdb::MsMs 3073286 9545280 7824230 FDB023695 C00422 Triacylglycerols BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme