1.0 2018-07-17 17:39:18 UTC 2020-04-22 15:52:29 UTC BMDB0062442 BMDB62442 TG(15:0/18:4(6Z,9Z,12Z,15Z)/15:0) TG(15:0/18:4(6Z,9Z,12Z,15Z)/15:0), also known as TG(15:0/18:4/15:0) or triacylglycerol, 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(15:0/18:4(6Z,9Z,12Z,15Z)/15:0) is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1-Pentadecanoyl-2-stearidonoyl-3-pentadecanoyl-glycerol Tracylglycerol(15:0/18:4/15:0) Triacylglycerol TG(15:0/18:4/15:0) TAG(48:4) Triglyceride TAG(15:0/18:4/15:0) Tracylglycerol(48:4) 1-Pentadecanoyl-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-3-pentadecanoyl-glycerol TG(48:4) TG(15:0/18:4(6Z,9Z,12Z,15Z)/15:0) C51H90O6 799.2567 798.673740612 1,3-bis(pentadecanoyloxy)propan-2-yl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate 1,3-bis(pentadecanoyloxy)propan-2-yl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate [H]C(COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,30,33,48H,4-6,8-9,11-15,17-18,20-24,27-29,31-32,34-47H2,1-3H3/b10-7-,19-16-,26-25-,33-30- DLCDFMLHLIWWGK-VNIKSONVSA-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 Lineolic acids and 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 Octadecanoid Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives Aliphatic acyclic compounds Solid logp 17.48 Extrapolated logp 10.63 ALOGPS logs -8.03 ALOGPS logp 17.48 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 1,3-bis(pentadecanoyloxy)propan-2-yl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate ChemAxon average_mass 799.2567 ChemAxon mono_mass 798.673740612 ChemAxon smiles [H]C(COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C51H90O6 ChemAxon inchi InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3/h7,10,16,19,25-26,30,33,48H,4-6,8-9,11-15,17-18,20-24,27-29,31-32,34-47H2,1-3H3/b10-7-,19-16-,26-25-,33-30- ChemAxon inchikey DLCDFMLHLIWWGK-VNIKSONVSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 245.76 ChemAxon polarizability 104.55 ChemAxon rotatable_bond_count 46 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::CMs 236770 Specdb::MsMs 625054 Specdb::MsMs 625055 Specdb::MsMs 625056 Specdb::MsMs 2324398 Specdb::MsMs 2324399 Specdb::MsMs 2324400 Specdb::MsMs 2334394 Specdb::MsMs 2334395 Specdb::MsMs 2334396 Specdb::MsMs 2627894 Specdb::MsMs 2627895 Specdb::MsMs 2627896 Specdb::MsMs 2962617 Specdb::MsMs 2962618 Specdb::MsMs 2962619 Specdb::MsMs 3047433 Specdb::MsMs 3047434 Specdb::MsMs 3047435 Milk Raw 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 131754776 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