1.0 2020-03-25 17:40:19 UTC 2020-04-22 19:06:57 UTC BMDB0097834 TG(15:0/14:0/20:4(5Z,8Z,11Z,14Z)) 1-Pentadecanoyl-2-myristoyl-3-arachidonoyl-glycerol 1-Pentadecanoyl-2-tetradecanoyl-3-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-glycerol TAG(15:0/14:0/20:4) TAG(49:4) TG(15:0/14:0/20:4) TG(49:4) Tracylglycerol(15:0/14:0/20:4) Tracylglycerol(49:4) Triacylglycerol Triglyceride TG(15:0/14:0/20:4(5Z,8Z,11Z,14Z)) C52H92O6 813.302 812.689390682 (2S)-3-(pentadecanoyloxy)-2-(tetradecanoyloxy)propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate (2S)-3-(pentadecanoyloxy)-2-(tetradecanoyloxy)propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,33,36,49H,4-15,17-18,20-23,26,29-32,34-35,37-48H2,1-3H3/b19-16-,25-24-,28-27-,36-33-/t49-/m0/s1 LKBZRKMQPKKCRM-HGRWMSJVSA-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 10.71 ALOGPS logs -8.06 ALOGPS logp 17.92 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-(pentadecanoyloxy)-2-(tetradecanoyloxy)propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate ChemAxon average_mass 813.302 ChemAxon mono_mass 812.689390682 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC ChemAxon formula C52H92O6 ChemAxon inchi InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,33,36,49H,4-15,17-18,20-23,26,29-32,34-35,37-48H2,1-3H3/b19-16-,25-24-,28-27-,36-33-/t49-/m0/s1 ChemAxon inchikey LKBZRKMQPKKCRM-HGRWMSJVSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 250.36 ChemAxon polarizability 105.78 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 627952 Specdb::MsMs 627953 Specdb::MsMs 627954 Specdb::MsMs 947830 Specdb::MsMs 947831 Specdb::MsMs 947832 Specdb::MsMs 2373852 Specdb::MsMs 2373853 Specdb::MsMs 2373854 Specdb::MsMs 2483982 Specdb::MsMs 2483983 Specdb::MsMs 2483984 Specdb::MsMs 2564940 Specdb::MsMs 2564941 Specdb::MsMs 2564942 Specdb::MsMs 2805852 Specdb::MsMs 2805853 Specdb::MsMs 2805854 Specdb::MsMs 2994290 Specdb::MsMs 2994291 Specdb::MsMs 2994292 131754114