1.0 2018-07-17 17:31:58 UTC 2020-04-22 15:52:14 UTC BMDB0062356 BMDB62356 TG(15:0/24:0/18:3(9Z,12Z,15Z)) TG(15:0/24:0/18:3(9Z,12Z,15Z)), also known as tag(15:0/24:0/18:3) or tag(57:3), 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. TG(15:0/24:0/18:3(9Z,12Z,15Z)) is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1-Pentadecanoyl-2-lignoceroyl-3-a-linolenoyl-glycerol 1-Pentadecanoyl-2-tetracosanoyl-3-(9Z,12Z,15Z-octadeatrienoyl)-glycerol TAG(15:0/24:0/18:3) TAG(57:3) TG(15:0/24:0/18:3) TG(57:3) Tracylglycerol(15:0/24:0/18:3) Tracylglycerol(57:3) Triacylglycerol Triglyceride TG(15:0/24:0/18:3(9Z,12Z,15Z)) C60H110O6 927.534 926.830241262 (2S)-1-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-3-(pentadecanoyloxy)propan-2-yl tetracosanoate (2S)-1-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-3-(pentadecanoyloxy)propan-2-yl tetracosanoate [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,33,57H,4-7,9-10,12-16,18-19,21-25,27-32,34-56H2,1-3H3/b11-8-,20-17-,33-26-/t57-/m0/s1 QHZQZFODHJGTEQ-YKMHXOHJSA-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 Solid logp 21.84 Extrapolated logp 10.85 ALOGPS logs -8.15 ALOGPS logp 21.84 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-3-(pentadecanoyloxy)propan-2-yl tetracosanoate ChemAxon average_mass 927.534 ChemAxon mono_mass 926.830241262 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC ChemAxon formula C60H110O6 ChemAxon inchi InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,33,57H,4-7,9-10,12-16,18-19,21-25,27-32,34-56H2,1-3H3/b11-8-,20-17-,33-26-/t57-/m0/s1 ChemAxon inchikey QHZQZFODHJGTEQ-YKMHXOHJSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 286.05 ChemAxon polarizability 125.1 ChemAxon rotatable_bond_count 56 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 635716 Specdb::MsMs 635717 Specdb::MsMs 635718 Specdb::MsMs 951016 Specdb::MsMs 951017 Specdb::MsMs 951018 Specdb::MsMs 2328171 Specdb::MsMs 2328172 Specdb::MsMs 2328173 Specdb::MsMs 2404844 Specdb::MsMs 2404845 Specdb::MsMs 2404846 Specdb::MsMs 2634892 Specdb::MsMs 2634893 Specdb::MsMs 2634894 Specdb::MsMs 2935640 Specdb::MsMs 2935641 Specdb::MsMs 2935642 Specdb::MsMs 2982317 Specdb::MsMs 2982318 Specdb::MsMs 2982319 Milk By GC-MS and RP-UPLC-Qtrap Tang C, Zhang K, Zhan T, Zhao Q, Zhang J: Metabolic Characterization of Dairy Cows Treated with Gossypol by Blood Biochemistry and Body Fluid Untargeted Metabolome Analyses. J Agric Food Chem. 2017 Oct 25;65(42):9369-9378. doi: 10.1021/acs.jafc.7b03544. Epub 2017 Oct 17. 28965405 131754284 Tang C, Zhang K, Zhan T, Zhao Q, Zhang J: Metabolic Characterization of Dairy Cows Treated with Gossypol by Blood Biochemistry and Body Fluid Untargeted Metabolome Analyses. J Agric Food Chem. 2017 Oct 25;65(42):9369-9378. doi: 10.1021/acs.jafc.7b03544. Epub 2017 Oct 17. 28965405