1.0 2020-03-26 01:43:27 UTC 2020-04-22 19:30:01 UTC BMDB0101482 TG(24:0/20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)) 1-Lignoceroyl-2-meadoyl-3-meadoyl-glycerol 1-Tetracosanoyl-2-(5Z,8Z,11Z-eicosatrienoyl)-3-(5Z,8Z,11Z-eicosatrienoyl)-glycerol TAG(24:0/20:3/20:3) TAG(64:6) TG(24:0/20:3/20:3) TG(64:6) Tracylglycerol(24:0/20:3/20:3) Tracylglycerol(64:6) Triacylglycerol Triglyceride TG(24:0/20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)) C67H118O6 1019.675 1018.89284152 (2S)-2,3-bis[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propyl tetracosanoate (2S)-2,3-bis[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propyl tetracosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,38,40-41,43,47,49-50,52,64H,4-25,28,31-37,39,42,44-46,48,51,53-63H2,1-3H3/b29-26-,30-27-,41-38-,43-40-,50-47-,52-49-/t64-/m1/s1 BRLLGFOMYQSUEY-WEFDUAATSA-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 10.98 ALOGPS logs -8.26 ALOGPS logp 23.87 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2,3-bis[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propyl tetracosanoate ChemAxon average_mass 1019.675 ChemAxon mono_mass 1018.89284152 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC ChemAxon formula C67H118O6 ChemAxon inchi InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,38,40-41,43,47,49-50,52,64H,4-25,28,31-37,39,42,44-46,48,51,53-63H2,1-3H3/b29-26-,30-27-,41-38-,43-40-,50-47-,52-49-/t64-/m1/s1 ChemAxon inchikey BRLLGFOMYQSUEY-WEFDUAATSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 321.61 ChemAxon polarizability 136.54 ChemAxon rotatable_bond_count 60 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 216193 Specdb::MsMs 677068 Specdb::MsMs 677069 Specdb::MsMs 677070 Specdb::MsMs 967444 Specdb::MsMs 967445 Specdb::MsMs 967446 Specdb::MsMs 2277998 Specdb::MsMs 2277999 Specdb::MsMs 2278000 Specdb::MsMs 2516979 Specdb::MsMs 2516980 Specdb::MsMs 2516981 Specdb::MsMs 2772446 Specdb::MsMs 2772447 Specdb::MsMs 2772448 Specdb::MsMs 2837151 Specdb::MsMs 2837152 Specdb::MsMs 2837153 Specdb::MsMs 2909390 Specdb::MsMs 2909391 Specdb::MsMs 2909392 131758142