1.0 2020-03-25 16:37:42 UTC 2020-04-22 19:02:12 UTC BMDB0097083 TG(14:0/15:0/20:5(5Z,8Z,11Z,14Z,17Z)) 1-Myristoyl-2-pentadecanoyl-3-eicosapentaenoyl-glycerol 1-Tetradecanoyl-2-pentadecanoyl-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycerol TAG(14:0/15:0/20:5) TAG(49:5) TG(14:0/15:0/20:5) TG(49:5) Tracylglycerol(14:0/15:0/20:5) Tracylglycerol(49:5) Triacylglycerol Triglyceride TG(14:0/15:0/20:5(5Z,8Z,11Z,14Z,17Z)) C52H90O6 811.286 810.673740618 (2S)-2-(pentadecanoyloxy)-3-(tetradecanoyloxy)propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate (2S)-2-(pentadecanoyloxy)-3-(tetradecanoyloxy)propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC InChI=1S/C52H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,33,36,49H,4-6,8-9,11-15,17-18,20-23,26,29-32,34-35,37-48H2,1-3H3/b10-7-,19-16-,25-24-,28-27-,36-33-/t49-/m0/s1 GZCDLTADQQVISY-MCPBBNGLSA-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 10.61 ALOGPS logs -7.97 ALOGPS logp 17.56 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-(pentadecanoyloxy)-3-(tetradecanoyloxy)propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate ChemAxon average_mass 811.286 ChemAxon mono_mass 810.673740618 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC ChemAxon formula C52H90O6 ChemAxon inchi InChI=1S/C52H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,33,36,49H,4-6,8-9,11-15,17-18,20-23,26,29-32,34-35,37-48H2,1-3H3/b10-7-,19-16-,25-24-,28-27-,36-33-/t49-/m0/s1 ChemAxon inchikey GZCDLTADQQVISY-MCPBBNGLSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 251.47 ChemAxon polarizability 104.54 ChemAxon rotatable_bond_count 46 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::CMs 240052 Specdb::MsMs 656374 Specdb::MsMs 656375 Specdb::MsMs 656376 Specdb::MsMs 959125 Specdb::MsMs 959126 Specdb::MsMs 959127 Specdb::MsMs 2600027 Specdb::MsMs 2600028 Specdb::MsMs 2600029 Specdb::MsMs 2700424 Specdb::MsMs 2700425 Specdb::MsMs 2700426 Specdb::MsMs 2771174 Specdb::MsMs 2771175 Specdb::MsMs 2771176 Specdb::MsMs 2780320 Specdb::MsMs 2780321 Specdb::MsMs 2780322 Specdb::MsMs 2907846 Specdb::MsMs 2907847 Specdb::MsMs 2907848 131753263