1.0 2018-06-25 21:57:13 UTC 2020-04-22 15:51:29 UTC BMDB0062190 BMDB62190 TG(12:0/14:0/16:0) TG(12:0/14:0/16:0), 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(12:0/14:0/16:0) is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). TG(12:0/14:0/16:0) exists in all eukaryotes, ranging from yeast to humans. Triacylglycerol TAG(12:0/14:0/16:0) Triglyceride TAG(42:0) Tracylglycerol(12:0/14:0/16:0) 1-Dodecanoyl-2-myristoyl-3-palmitoyl-glycerol TG(42:0) 1-Dodecanoyl-2-tetradecanoyl-3-hexadecanoyl-glycerol Tracylglycerol(42:0) TG(12:0/14:0/16:0) C45H86O6 723.177 722.642440489 (2S)-3-(dodecanoyloxy)-2-(tetradecanoyloxy)propyl hexadecanoate (2S)-3-(dodecanoyloxy)-2-(tetradecanoyloxy)propyl hexadecanoate [H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC InChI=1S/C45H86O6/c1-4-7-10-13-16-19-21-22-24-26-29-32-35-38-44(47)50-41-42(40-49-43(46)37-34-31-28-25-18-15-12-9-6-3)51-45(48)39-36-33-30-27-23-20-17-14-11-8-5-2/h42H,4-41H2,1-3H3/t42-/m0/s1 PGZSAELMQZLYOA-WBCKFURZSA-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 10.32 ALOGPS logs -7.74 ALOGPS logp 16.26 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-(dodecanoyloxy)-2-(tetradecanoyloxy)propyl hexadecanoate ChemAxon average_mass 723.177 ChemAxon mono_mass 722.642440489 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC ChemAxon formula C45H86O6 ChemAxon inchi InChI=1S/C45H86O6/c1-4-7-10-13-16-19-21-22-24-26-29-32-35-38-44(47)50-41-42(40-49-43(46)37-34-31-28-25-18-15-12-9-6-3)51-45(48)39-36-33-30-27-23-20-17-14-11-8-5-2/h42H,4-41H2,1-3H3/t42-/m0/s1 ChemAxon inchikey PGZSAELMQZLYOA-WBCKFURZSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 213.68 ChemAxon polarizability 96.31 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 Specdb::NmrOneD 280298 Specdb::NmrOneD 280299 Specdb::NmrOneD 280300 Specdb::NmrOneD 280301 Specdb::NmrOneD 280302 Specdb::NmrOneD 280303 Specdb::NmrOneD 280304 Specdb::NmrOneD 280305 Specdb::NmrOneD 280306 Specdb::NmrOneD 280307 Specdb::NmrOneD 280308 Specdb::NmrOneD 280309 Specdb::NmrOneD 280310 Specdb::NmrOneD 280311 Specdb::NmrOneD 280312 Specdb::NmrOneD 280313 Specdb::NmrOneD 280314 Specdb::NmrOneD 280315 Specdb::NmrOneD 280316 Specdb::NmrOneD 280317 Specdb::MsMs 665002 Specdb::MsMs 665003 Specdb::MsMs 665004 Specdb::MsMs 2278664 Specdb::MsMs 2278665 Specdb::MsMs 2278666 Specdb::MsMs 2688362 Specdb::MsMs 2688363 Specdb::MsMs 2688364 Specdb::MsMs 2751772 Specdb::MsMs 2751773 Specdb::MsMs 2751774 Specdb::MsMs 2930715 Specdb::MsMs 2930716 Specdb::MsMs 2930717 Specdb::MsMs 3024402 Specdb::MsMs 3024403 Specdb::MsMs 3024404 Milk Mottram HR, Evershed RP: Elucidation of the composition of bovine milk fat triacylglycerols using high-performance liquid chromatography-atmospheric pressure chemical ionisation mass spectrometry. J Chromatogr A. 2001 Aug 17;926(2):239-53. 11556330 131803451 FDB067062 Mottram HR, Evershed RP: Elucidation of the composition of bovine milk fat triacylglycerols using high-performance liquid chromatography-atmospheric pressure chemical ionisation mass spectrometry. J Chromatogr A. 2001 Aug 17;926(2):239-53. 11556330