1.0 2020-03-25 21:15:09 UTC 2020-04-22 19:15:43 UTC BMDB0099220 TG(18:0/15:0/20:3(5Z,8Z,11Z)) 1-Octadecanoyl-2-pentadecanoyl-3-(5Z,8Z,11Z-eicosatrienoyl)-glycerol 1-Stearoyl-2-pentadecanoyl-3-meadoyl-glycerol TAG(18:0/15:0/20:3) TAG(53:3) TG(18:0/15:0/20:3) TG(53:3) Tracylglycerol(18:0/15:0/20:3) Tracylglycerol(53:3) Triacylglycerol Triglyceride TG(18:0/15:0/20:3(5Z,8Z,11Z)) C56H102O6 871.426 870.767641004 (2S)-3-(octadecanoyloxy)-2-(pentadecanoyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate (2S)-3-(octadecanoyloxy)-2-(pentadecanoyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25,27,30,32,37,40,53H,4-24,26,28-29,31,33-36,38-39,41-52H2,1-3H3/b27-25-,32-30-,40-37-/t53-/m0/s1 BKXAFLASIYSQOA-BJHMDNJISA-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 10.87 ALOGPS logs -8.15 ALOGPS logp 20.06 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-(octadecanoyloxy)-2-(pentadecanoyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate ChemAxon average_mass 871.426 ChemAxon mono_mass 870.767641004 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC ChemAxon formula C56H102O6 ChemAxon inchi InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25,27,30,32,37,40,53H,4-24,26,28-29,31,33-36,38-39,41-52H2,1-3H3/b27-25-,32-30-,40-37-/t53-/m0/s1 ChemAxon inchikey BKXAFLASIYSQOA-BJHMDNJISA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 267.65 ChemAxon polarizability 115.98 ChemAxon rotatable_bond_count 52 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 605851 Specdb::MsMs 605852 Specdb::MsMs 605853 Specdb::MsMs 938851 Specdb::MsMs 938852 Specdb::MsMs 938853 Specdb::MsMs 2266239 Specdb::MsMs 2266240 Specdb::MsMs 2266241 Specdb::MsMs 2463147 Specdb::MsMs 2463148 Specdb::MsMs 2463149 Specdb::MsMs 2891415 Specdb::MsMs 2891416 Specdb::MsMs 2891417 Specdb::MsMs 3054281 Specdb::MsMs 3054282 Specdb::MsMs 3054283 Specdb::MsMs 3075372 Specdb::MsMs 3075373 Specdb::MsMs 3075374 131755748