1.0 2018-07-17 17:26:24 UTC 2020-04-22 15:51:57 UTC BMDB0062292 BMDB62292 TG(14:0/15:0/15:0) TG(14:0/15:0/15:0), also known as triacylglycerol or triglyceride, 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(14:0/15:0/15:0) is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). TG(14:0/15:0/15:0) exists in all eukaryotes, ranging from yeast to humans. TG(14:0/15:0/15:0) can be biosynthesized from DG(14:0/15:0/0:0) and pentadecanoyl-CoA; which is catalyzed by the enzyme diacylglycerol O-acyltransferase. In cattle, TG(14:0/15:0/15:0) is involved in the metabolic pathway called de novo triacylglycerol biosynthesis TG(14:0/15:0/15:0) pathway. TAG(14:0/15:0/15:0) Triacylglycerol Triglyceride TG(44:0) Tracylglycerol(14:0/15:0/15:0) Tracylglycerol(44:0) TAG(44:0) 1-Tetradecanoyl-2-pentadecanoyl-3-pentadecanoyl-glycerol 1-Myristoyl-2-pentadecanoyl-3-pentadecanoyl-glycerol TG(14:0/15:0/15:0) C47H90O6 751.231 750.673740618 (2S)-1-(pentadecanoyloxy)-3-(tetradecanoyloxy)propan-2-yl pentadecanoate (2S)-1-(pentadecanoyloxy)-3-(tetradecanoyloxy)propan-2-yl pentadecanoate [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC InChI=1S/C47H90O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-46(49)52-43-44(42-51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)53-47(50)41-38-35-32-29-26-23-20-17-14-11-8-5-2/h44H,4-43H2,1-3H3/t44-/m0/s1 ROBJWPSKKQDYDD-SJARJILFSA-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 17.15 Extrapolated logp 10.43 ALOGPS logs -7.77 ALOGPS logp 17.15 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-(pentadecanoyloxy)-3-(tetradecanoyloxy)propan-2-yl pentadecanoate ChemAxon average_mass 751.231 ChemAxon mono_mass 750.673740618 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC ChemAxon formula C47H90O6 ChemAxon inchi InChI=1S/C47H90O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-46(49)52-43-44(42-51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)53-47(50)41-38-35-32-29-26-23-20-17-14-11-8-5-2/h44H,4-43H2,1-3H3/t44-/m0/s1 ChemAxon inchikey ROBJWPSKKQDYDD-SJARJILFSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 222.89 ChemAxon polarizability 100.63 ChemAxon rotatable_bond_count 46 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 De Novo Triacylglycerol Biosynthesis TG(14:0/15:0/15:0) SMP0072709 Specdb::MsMs 672754 Specdb::MsMs 672755 Specdb::MsMs 672756 Specdb::MsMs 965650 Specdb::MsMs 965651 Specdb::MsMs 965652 Specdb::MsMs 2366368 Specdb::MsMs 2366369 Specdb::MsMs 2366370 Specdb::MsMs 2368848 Specdb::MsMs 2368849 Specdb::MsMs 2368850 Specdb::MsMs 2599164 Specdb::MsMs 2599165 Specdb::MsMs 2599166 Specdb::MsMs 2904675 Specdb::MsMs 2904676 Specdb::MsMs 2904677 Specdb::MsMs 2915636 Specdb::MsMs 2915637 Specdb::MsMs 2915638 Milk Raw 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 131753238 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