1.0 2018-06-25 21:57:22 UTC 2020-04-22 15:51:30 UTC BMDB0062192 BMDB62192 TG(12:0/16:0/18:0) TG(18:0/16:0/12:0), also known as triacylglycerol or tag(46:0), 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. Thus, TG(18:0/16:0/12:0) is considered to be a triradylglycerol lipid molecule. TG(18:0/16:0/12:0) is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Triacylglycerol TG(12:0/16:0/18:0) TAG(46:0) Triglyceride Tracylglycerol(12:0/16:0/18:0) Tracylglycerol(46:0) 1-dodecanoyl-2-palmitoyl-3-stearoyl-glycerol TAG(12:0/16:0/18:0) 1-dodecanoyl-2-hexadecanoyl-3-octadecanoyl-glycerol TG(46:0) C49H94O6 779.285 778.705040747 (2S)-3-(dodecanoyloxy)-2-(hexadecanoyloxy)propyl octadecanoate (2S)-3-(dodecanoyloxy)-2-(hexadecanoyloxy)propyl octadecanoate [H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC InChI=1S/C49H94O6/c1-4-7-10-13-16-19-21-23-24-26-27-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-18-15-12-9-6-3)55-49(52)43-40-37-34-31-28-25-22-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3/t46-/m0/s1 HBNALZRPCNRSPZ-DXQCBLCSSA-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 10.54 ALOGPS logs -7.80 ALOGPS logp 18.04 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-(dodecanoyloxy)-2-(hexadecanoyloxy)propyl octadecanoate ChemAxon average_mass 779.285 ChemAxon mono_mass 778.705040747 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC ChemAxon formula C49H94O6 ChemAxon inchi InChI=1S/C49H94O6/c1-4-7-10-13-16-19-21-23-24-26-27-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-18-15-12-9-6-3)55-49(52)43-40-37-34-31-28-25-22-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3/t46-/m0/s1 ChemAxon inchikey HBNALZRPCNRSPZ-DXQCBLCSSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 232.09 ChemAxon polarizability 104.86 ChemAxon rotatable_bond_count 48 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 183475 Specdb::MsMs 2359667 Specdb::MsMs 2359668 Specdb::MsMs 2359669 Specdb::MsMs 2536013 Specdb::MsMs 2536014 Specdb::MsMs 2536015 Specdb::MsMs 2750758 Specdb::MsMs 2750759 Specdb::MsMs 2750760 Specdb::MsMs 3038294 Specdb::MsMs 3038295 Specdb::MsMs 3038296 Specdb::MsMs 3105971 Specdb::MsMs 3105972 Specdb::MsMs 3105973 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 101512754 FDB067372 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