1.0 2020-03-26 06:13:39 UTC 2020-04-22 19:47:30 UTC BMDB0104246 TG(20:1(11Z)/18:0/20:4(5Z,8Z,11Z,14Z)) 1-(11-Eicosenoyl)-2-octadecanoyl-3-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-glycerol 1-Eicosenoyl-2-stearoyl-3-arachidonoyl-glycerol TAG(20:1/18:0/20:4) TAG(58:5) TG(20:1/18:0/20:4) TG(58:5) Tracylglycerol(20:1/18:0/20:4) Tracylglycerol(58:5) Triacylglycerol Triglyceride TG(20:1(11Z)/18:0/20:4(5Z,8Z,11Z,14Z)) C61H108O6 937.529 936.814591198 (2S)-3-[(11Z)-icos-11-enoyloxy]-2-(octadecanoyloxy)propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate (2S)-3-[(11Z)-icos-11-enoyloxy]-2-(octadecanoyloxy)propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate [H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,35,41,44,58H,4-15,17-18,20-24,27,30-32,34,36-40,42-43,45-57H2,1-3H3/b19-16-,28-25-,29-26-,35-33-,44-41-/t58-/m1/s1 RMWCOUHBNYALHG-NRPZVRPMSA-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 -8.21 ALOGPS logp 21.56 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(11Z)-icos-11-enoyloxy]-2-(octadecanoyloxy)propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate ChemAxon average_mass 937.529 ChemAxon mono_mass 936.814591198 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC ChemAxon formula C61H108O6 ChemAxon inchi InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,33,35,41,44,58H,4-15,17-18,20-24,27,30-32,34,36-40,42-43,45-57H2,1-3H3/b19-16-,28-25-,29-26-,35-33-,44-41-/t58-/m1/s1 ChemAxon inchikey RMWCOUHBNYALHG-NRPZVRPMSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 292.88 ChemAxon polarizability 124.17 ChemAxon rotatable_bond_count 55 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 624409 Specdb::MsMs 624410 Specdb::MsMs 624411 Specdb::MsMs 946396 Specdb::MsMs 946397 Specdb::MsMs 946398 Specdb::MsMs 2318867 Specdb::MsMs 2318868 Specdb::MsMs 2318869 Specdb::MsMs 2617364 Specdb::MsMs 2617365 Specdb::MsMs 2617366 Specdb::MsMs 2635348 Specdb::MsMs 2635349 Specdb::MsMs 2635350 Specdb::MsMs 2735384 Specdb::MsMs 2735385 Specdb::MsMs 2735386 Specdb::MsMs 3105809 Specdb::MsMs 3105810 Specdb::MsMs 3105811 131761117