1.0 2018-06-25 21:56:25 UTC 2020-04-22 15:51:27 UTC BMDB0062179 BMDB62179 TG(12:0/12:0/14:0) TG(12:0/12:0/14:0), also known as triacylglycerol or TG(38:0), 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. TG(12:0/12:0/14:0) is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). TG(12:0/12:0/14:0) exists in all eukaryotes, ranging from yeast to humans. 1-dodecanoyl-2-dodecanoyl-3-myristoyl-glycerol Triacylglycerol Tracylglycerol(38:0) TAG(12:0/12:0/14:0) TG(38:0) Triglyceride TAG(38:0) TG(12:0/12:0/14:0) 1-dodecanoyl-2-dodecanoyl-3-tetradecanoyl-glycerol Tracylglycerol(12:0/12:0/14:0) C41H78O6 667.069 666.579840232 (2S)-2,3-bis(dodecanoyloxy)propyl tetradecanoate (2S)-2,3-bis(dodecanoyloxy)propyl tetradecanoate [H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC InChI=1S/C41H78O6/c1-4-7-10-13-16-19-20-23-25-28-31-34-40(43)46-37-38(47-41(44)35-32-29-26-22-18-15-12-9-6-3)36-45-39(42)33-30-27-24-21-17-14-11-8-5-2/h38H,4-37H2,1-3H3/t38-/m0/s1 SMUUMIRCIBXLGI-LHEWISCISA-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 9.97 ALOGPS logs -7.74 ALOGPS logp 14.48 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2,3-bis(dodecanoyloxy)propyl tetradecanoate ChemAxon average_mass 667.069 ChemAxon mono_mass 666.579840232 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC ChemAxon formula C41H78O6 ChemAxon inchi InChI=1S/C41H78O6/c1-4-7-10-13-16-19-20-23-25-28-31-34-40(43)46-37-38(47-41(44)35-32-29-26-22-18-15-12-9-6-3)36-45-39(42)33-30-27-24-21-17-14-11-8-5-2/h38H,4-37H2,1-3H3/t38-/m0/s1 ChemAxon inchikey SMUUMIRCIBXLGI-LHEWISCISA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 195.28 ChemAxon polarizability 87.78 ChemAxon rotatable_bond_count 40 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 670240 Specdb::MsMs 670241 Specdb::MsMs 670242 Specdb::MsMs 2562738 Specdb::MsMs 2562739 Specdb::MsMs 2562740 Specdb::MsMs 2640847 Specdb::MsMs 2640848 Specdb::MsMs 2640849 Specdb::MsMs 2761258 Specdb::MsMs 2761259 Specdb::MsMs 2761260 Specdb::MsMs 2945295 Specdb::MsMs 2945296 Specdb::MsMs 2945297 Specdb::MsMs 3094030 Specdb::MsMs 3094031 Specdb::MsMs 3094032 Specdb::NmrOneD 319131 Specdb::NmrOneD 319132 Specdb::NmrOneD 319133 Specdb::NmrOneD 319134 Specdb::NmrOneD 319135 Specdb::NmrOneD 319136 Specdb::NmrOneD 319137 Specdb::NmrOneD 319138 Specdb::NmrOneD 319139 Specdb::NmrOneD 319140 Specdb::NmrOneD 319141 Specdb::NmrOneD 319142 Specdb::NmrOneD 319143 Specdb::NmrOneD 319144 Specdb::NmrOneD 319145 Specdb::NmrOneD 319146 Specdb::NmrOneD 319147 Specdb::NmrOneD 319148 Specdb::NmrOneD 319149 Specdb::NmrOneD 319150 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 97045144 FDB066752 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