1.0 2018-07-17 17:42:51 UTC 2020-04-22 15:52:38 UTC BMDB0062484 BMDB62484 TG(24:0/15:0/18:4(6Z,9Z,12Z,15Z)) TG(24:0/15:0/18:4(6Z,9Z,12Z,15Z)), also known as tag(24:0/15:0/18:4) or tag(57:4), 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(24:0/15:0/18:4(6Z,9Z,12Z,15Z)) is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1-Lignoceroyl-2-pentadecanoyl-3-stearidonoyl-glycerol 1-Tetracosanoyl-2-pentadecanoyl-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-glycerol TAG(24:0/15:0/18:4) TAG(57:4) TG(24:0/15:0/18:4) TG(57:4) Tracylglycerol(24:0/15:0/18:4) Tracylglycerol(57:4) Triacylglycerol Triglyceride TG(24:0/15:0/18:4(6Z,9Z,12Z,15Z)) C60H108O6 925.518 924.814591198 (2S)-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-2-(pentadecanoyloxy)propyl tetracosanoate (2S)-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-2-(pentadecanoyloxy)propyl tetracosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,33,38,40,57H,4-7,9-10,12-16,18-19,21-25,27-32,34-37,39,41-56H2,1-3H3/b11-8-,20-17-,33-26-,40-38-/t57-/m1/s1 VPFZFWBQBROUGP-IWOSBTQLSA-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 21.48 Extrapolated logp 10.91 ALOGPS logs -8.19 ALOGPS logp 21.48 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-2-(pentadecanoyloxy)propyl tetracosanoate ChemAxon average_mass 925.518 ChemAxon mono_mass 924.814591198 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCC ChemAxon formula C60H108O6 ChemAxon inchi InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,33,38,40,57H,4-7,9-10,12-16,18-19,21-25,27-32,34-37,39,41-56H2,1-3H3/b11-8-,20-17-,33-26-,40-38-/t57-/m1/s1 ChemAxon inchikey VPFZFWBQBROUGP-IWOSBTQLSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 287.17 ChemAxon polarizability 123.14 ChemAxon rotatable_bond_count 55 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 666727 Specdb::MsMs 666728 Specdb::MsMs 666729 Specdb::MsMs 963223 Specdb::MsMs 963224 Specdb::MsMs 963225 Specdb::MsMs 2294076 Specdb::MsMs 2294077 Specdb::MsMs 2294078 Specdb::MsMs 2406302 Specdb::MsMs 2406303 Specdb::MsMs 2406304 Specdb::MsMs 2530008 Specdb::MsMs 2530009 Specdb::MsMs 2530010 Specdb::MsMs 3045799 Specdb::MsMs 3045800 Specdb::MsMs 3045801 Specdb::MsMs 3107888 Specdb::MsMs 3107889 Specdb::MsMs 3107890 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 131757891 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