1.0 2020-03-25 18:42:56 UTC 2020-04-22 19:11:43 UTC BMDB0098588 TG(16:0/16:0/24:1(15Z)) 1-Hexadecanoyl-2-hexadecanoyl-3-(15Z-tetracosanoyl)-glycerol 1-Palmitoyl-2-palmitoyl-3-nervonoyl-glycerol TAG(16:0/16:0/24:1) TAG(56:1) TG(16:0/16:0/24:1) TG(56:1) Tracylglycerol(16:0/16:0/24:1) Tracylglycerol(56:1) Triacylglycerol Triglyceride TG(16:0/16:0/24:1(15Z)) C59H112O6 917.539 916.845891326 (2S)-2,3-bis(hexadecanoyloxy)propyl (15Z)-tetracos-15-enoate (2S)-2,3-bis(hexadecanoyloxy)propyl (15Z)-tetracos-15-enoate [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2/h25-26,56H,4-24,27-55H2,1-3H3/b26-25-/t56-/m0/s1 LRTMQTBQQUGLKW-DOVQLJDSSA-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 10.72 ALOGPS logs -7.92 ALOGPS logp 22.12 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2,3-bis(hexadecanoyloxy)propyl (15Z)-tetracos-15-enoate ChemAxon average_mass 917.539 ChemAxon mono_mass 916.845891326 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC ChemAxon formula C59H112O6 ChemAxon inchi InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2/h25-26,56H,4-24,27-55H2,1-3H3/b26-25-/t56-/m0/s1 ChemAxon inchikey LRTMQTBQQUGLKW-DOVQLJDSSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 279.21 ChemAxon polarizability 124.67 ChemAxon rotatable_bond_count 57 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 590629 Specdb::MsMs 590630 Specdb::MsMs 590631 Specdb::MsMs 932872 Specdb::MsMs 932873 Specdb::MsMs 932874 Specdb::MsMs 2378515 Specdb::MsMs 2378516 Specdb::MsMs 2378517 Specdb::MsMs 2557725 Specdb::MsMs 2557726 Specdb::MsMs 2557727 Specdb::MsMs 2564346 Specdb::MsMs 2564347 Specdb::MsMs 2564348 Specdb::MsMs 2665963 Specdb::MsMs 2665964 Specdb::MsMs 2665965 Specdb::MsMs 3077781 Specdb::MsMs 3077782 Specdb::MsMs 3077783 131755001