1.0 2020-02-10 19:46:37 UTC 2020-04-22 15:54:47 UTC BMDB0063695 BMDB63695 TG(14:0/15:0/18:1(11Z)) 1-Myristoyl-2-pentadecanoyl-3-vaccenoyl-glycerol 1-Tetradecanoyl-2-pentadecanoyl-3-(11Z-octadecenoyl)-glycerol TAG(14:0/15:0/18:1) TAG(47:1) TG(14:0/15:0/18:1) TG(47:1) Tracylglycerol(14:0/15:0/18:1) Tracylglycerol(47:1) Triacylglycerol Triglyceride TG(14:0/15:0/18:1(11Z)) C50H94O6 791.296 790.705040747 (2S)-2-(pentadecanoyloxy)-3-(tetradecanoyloxy)propyl (11Z)-octadec-11-enoate (2S)-2-(pentadecanoyloxy)-3-(tetradecanoyloxy)propyl (11Z)-octadec-11-enoate [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC InChI=1S/C50H94O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-28-23-20-17-14-11-8-5-2/h19,22,47H,4-18,20-21,23-46H2,1-3H3/b22-19-/t47-/m0/s1 ZRADZZUWHHIFJP-KWLHUJJFSA-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 logp 10.58 ALOGPS logs -7.84 ALOGPS logp 18.12 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-(pentadecanoyloxy)-3-(tetradecanoyloxy)propyl (11Z)-octadec-11-enoate ChemAxon average_mass 791.296 ChemAxon mono_mass 790.705040747 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC ChemAxon formula C50H94O6 ChemAxon inchi InChI=1S/C50H94O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-28-23-20-17-14-11-8-5-2/h19,22,47H,4-18,20-21,23-46H2,1-3H3/b22-19-/t47-/m0/s1 ChemAxon inchikey ZRADZZUWHHIFJP-KWLHUJJFSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 237.81 ChemAxon polarizability 105.29 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 639952 Specdb::MsMs 639953 Specdb::MsMs 639954 Specdb::MsMs 952765 Specdb::MsMs 952766 Specdb::MsMs 952767 Specdb::MsMs 2329740 Specdb::MsMs 2329741 Specdb::MsMs 2329742 Specdb::MsMs 2477318 Specdb::MsMs 2477319 Specdb::MsMs 2477320 Specdb::MsMs 2524194 Specdb::MsMs 2524195 Specdb::MsMs 2524196 Specdb::MsMs 2636638 Specdb::MsMs 2636639 Specdb::MsMs 2636640 Specdb::MsMs 2844191 Specdb::MsMs 2844192 Specdb::MsMs 2844193 Milk Whole 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 131753246