1.0 2020-03-25 21:20:24 UTC 2020-04-22 19:16:09 UTC BMDB0099289 TG(18:0/22:0/24:1(15Z)) 1-Octadecanoyl-2-docosanoyl-3-(15Z-tetracosanoyl)-glycerol 1-Stearoyl-2-behenoyl-3-nervonoyl-glycerol TAG(18:0/22:0/24:1) TAG(64:1) TG(18:0/22:0/24:1) TG(64:1) Tracylglycerol(18:0/22:0/24:1) Tracylglycerol(64:1) Triacylglycerol Triglyceride TG(18:0/22:0/24:1(15Z)) C67H128O6 1029.755 1028.971091842 (2S)-2-(docosanoyloxy)-3-(octadecanoyloxy)propyl (15Z)-tetracos-15-enoate (2S)-2-(docosanoyloxy)-3-(octadecanoyloxy)propyl (15Z)-tetracos-15-enoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25,28,64H,4-24,26-27,29-63H2,1-3H3/b28-25-/t64-/m0/s1 QQXDZDUYQPPPIC-VMEFWXSPSA-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 10.65 ALOGPS logs -7.96 ALOGPS logp 25.68 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-(docosanoyloxy)-3-(octadecanoyloxy)propyl (15Z)-tetracos-15-enoate ChemAxon average_mass 1029.755 ChemAxon mono_mass 1028.971091842 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC ChemAxon formula C67H128O6 ChemAxon inchi InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h25,28,64H,4-24,26-27,29-63H2,1-3H3/b28-25-/t64-/m0/s1 ChemAxon inchikey QQXDZDUYQPPPIC-VMEFWXSPSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 316.02 ChemAxon polarizability 141.87 ChemAxon rotatable_bond_count 65 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 634999 Specdb::MsMs 635000 Specdb::MsMs 635001 Specdb::MsMs 950719 Specdb::MsMs 950720 Specdb::MsMs 950721 Specdb::MsMs 2311274 Specdb::MsMs 2311275 Specdb::MsMs 2311276 Specdb::MsMs 2384273 Specdb::MsMs 2384274 Specdb::MsMs 2384275 Specdb::MsMs 2581716 Specdb::MsMs 2581717 Specdb::MsMs 2581718 Specdb::MsMs 2665072 Specdb::MsMs 2665073 Specdb::MsMs 2665074 Specdb::MsMs 3068644 Specdb::MsMs 3068645 Specdb::MsMs 3068646 131755836