1.0 2020-03-25 17:43:54 UTC 2020-04-22 19:07:14 UTC BMDB0097879 TG(15:0/16:0/18:4(6Z,9Z,12Z,15Z)) 1-Pentadecanoyl-2-hexadecanoyl-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-glycerol 1-Pentadecanoyl-2-palmitoyl-3-stearidonoyl-glycerol TAG(15:0/16:0/18:4) TAG(49:4) TG(15:0/16:0/18:4) TG(49:4) Tracylglycerol(15:0/16:0/18:4) Tracylglycerol(49:4) Triacylglycerol Triglyceride TG(15:0/16:0/18:4(6Z,9Z,12Z,15Z)) C52H92O6 813.302 812.689390682 (2S)-2-(hexadecanoyloxy)-3-(pentadecanoyloxy)propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate (2S)-2-(hexadecanoyloxy)-3-(pentadecanoyloxy)propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,30,33,49H,4-6,8-9,11-15,17-18,20-24,27-29,31-32,34-48H2,1-3H3/b10-7-,19-16-,26-25-,33-30-/t49-/m0/s1 XPRWICFUJOGOBN-GPOOFLMASA-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 Lineolic acids and 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 Octadecanoid Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives Aliphatic acyclic compounds logp 10.70 ALOGPS logs -8.06 ALOGPS logp 17.92 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-(hexadecanoyloxy)-3-(pentadecanoyloxy)propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate ChemAxon average_mass 813.302 ChemAxon mono_mass 812.689390682 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC ChemAxon formula C52H92O6 ChemAxon inchi InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,30,33,49H,4-6,8-9,11-15,17-18,20-24,27-29,31-32,34-48H2,1-3H3/b10-7-,19-16-,26-25-,33-30-/t49-/m0/s1 ChemAxon inchikey XPRWICFUJOGOBN-GPOOFLMASA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 250.36 ChemAxon polarizability 105.87 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 675331 Specdb::MsMs 675332 Specdb::MsMs 675333 Specdb::MsMs 966703 Specdb::MsMs 966704 Specdb::MsMs 966705 Specdb::MsMs 2366899 Specdb::MsMs 2366900 Specdb::MsMs 2366901 Specdb::MsMs 2473232 Specdb::MsMs 2473233 Specdb::MsMs 2473234 Specdb::MsMs 3004287 Specdb::MsMs 3004288 Specdb::MsMs 3004289 Specdb::MsMs 3041104 Specdb::MsMs 3041105 Specdb::MsMs 3041106 Specdb::MsMs 3102344 Specdb::MsMs 3102345 Specdb::MsMs 3102346 131754172