1.0 2018-07-17 17:26:59 UTC 2020-04-22 15:51:59 UTC BMDB0062299 BMDB62299 TG(14:0/14:1(9Z)/15:0) TG(14:0/14:1(9Z)/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(14:0/14:1(9Z)/15:0) is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). TG(14:0/14:1(9Z)/15:0) exists in all eukaryotes, ranging from yeast to humans. TG(14:0/14:1(9Z)/15:0) can be biosynthesized from DG(14:0/14:1(9Z)/0:0) and pentadecanoyl-CoA; which is mediated by the enzyme diacylglycerol O-acyltransferase. In cattle, TG(14:0/14:1(9Z)/15:0) is involved in the metabolic pathway called de novo triacylglycerol biosynthesis TG(14:0/14:1(9Z)/15:0) pathway. TG(14:0/14:1/15:0) Triacylglycerol TAG(14:0/14:1/15:0) Triglyceride TAG(43:1) Tracylglycerol(43:1) Tracylglycerol(14:0/14:1/15:0) 1-Myristoyl-2-myristoleoyl-3-pentadecanoyl-glycerol 1-Tetradecanoyl-2-(9Z-tetradecenoyl)-3-pentadecanoyl-glycerol TG(43:1) TG(14:0/14:1(9Z)/15:0) C46H86O6 735.188 734.642440489 (2S)-2-[(9Z)-tetradec-9-enoyloxy]-3-(tetradecanoyloxy)propyl pentadecanoate (2S)-2-[(9Z)-tetradec-9-enoyloxy]-3-(tetradecanoyloxy)propyl pentadecanoate [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC InChI=1S/C46H86O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-45(48)51-42-43(52-46(49)40-37-34-31-28-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,43H,4-14,16-17,19-42H2,1-3H3/b18-15-/t43-/m0/s1 KHAUMDGBIRUXME-LNSHZACTSA-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 16.34 Extrapolated logp 10.38 ALOGPS logs -7.81 ALOGPS logp 16.34 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(9Z)-tetradec-9-enoyloxy]-3-(tetradecanoyloxy)propyl pentadecanoate ChemAxon average_mass 735.188 ChemAxon mono_mass 734.642440489 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC ChemAxon formula C46H86O6 ChemAxon inchi InChI=1S/C46H86O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-45(48)51-42-43(52-46(49)40-37-34-31-28-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h15,18,43H,4-14,16-17,19-42H2,1-3H3/b18-15-/t43-/m0/s1 ChemAxon inchikey KHAUMDGBIRUXME-LNSHZACTSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 219.4 ChemAxon polarizability 97.23 ChemAxon rotatable_bond_count 44 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(14:0/14:1(9Z)/15:0) SMP0072682 Specdb::CMs 228804 Specdb::NmrOneD 297895 Specdb::NmrOneD 297896 Specdb::NmrOneD 297897 Specdb::NmrOneD 297898 Specdb::NmrOneD 297899 Specdb::NmrOneD 297900 Specdb::NmrOneD 297901 Specdb::NmrOneD 297902 Specdb::NmrOneD 297903 Specdb::NmrOneD 297904 Specdb::NmrOneD 297905 Specdb::NmrOneD 297906 Specdb::NmrOneD 297907 Specdb::NmrOneD 297908 Specdb::NmrOneD 297909 Specdb::NmrOneD 297910 Specdb::NmrOneD 297911 Specdb::NmrOneD 297912 Specdb::NmrOneD 297913 Specdb::NmrOneD 297914 Specdb::MsMs 601324 Specdb::MsMs 601325 Specdb::MsMs 601326 Specdb::MsMs 937036 Specdb::MsMs 937037 Specdb::MsMs 937038 Specdb::MsMs 2347748 Specdb::MsMs 2347749 Specdb::MsMs 2347750 Specdb::MsMs 2504876 Specdb::MsMs 2504877 Specdb::MsMs 2504878 Specdb::MsMs 2587012 Specdb::MsMs 2587013 Specdb::MsMs 2587014 Specdb::MsMs 2825665 Specdb::MsMs 2825666 Specdb::MsMs 2825667 Specdb::MsMs 2911745 Specdb::MsMs 2911746 Specdb::MsMs 2911747 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 131753414 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