1.0 2020-03-06 04:15:28 UTC 2020-04-22 17:12:59 UTC BMDB0076049 BMDB76049 TG(8:0/18:0/16:0) 1-capryloyl-2-stearoyl-3-palmitoyl-glycerol TG(42:0) Tag(8:0/18:0/16:0) Tag(42:0) Triacylglycerol(8:0/18:0/16:0) Triacylglycerol(42:0) Triacylglycerol Triglyceride TG(8:0/18:0/16:0) 1-capryloyl-2-octadecanoyl-3-hexadecanoyl-glycerol Tracylglycerol(42:0) Triacylglycerol Tracylglycerol(8:0/18:0/16:0) TAG(8:0/18:0/16:0) 1-octanoyl-2-stearoyl-3-palmitoyl-glycerol TAG(42:0) TG(42:0) C45H86O6 723.177 722.642440489 (2S)-1-(hexadecanoyloxy)-3-(octanoyloxy)propan-2-yl octadecanoate (2S)-1-(hexadecanoyloxy)-3-(octanoyloxy)propan-2-yl octadecanoate [H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC InChI=1S/C45H86O6/c1-4-7-10-13-15-17-19-21-22-24-26-28-30-33-36-39-45(48)51-42(40-49-43(46)37-34-31-12-9-6-3)41-50-44(47)38-35-32-29-27-25-23-20-18-16-14-11-8-5-2/h42H,4-41H2,1-3H3/t42-/m0/s1 ZJAUYUAXPFDMAM-WBCKFURZSA-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 10.35 ALOGPS logs -7.75 ALOGPS logp 16.26 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-(hexadecanoyloxy)-3-(octanoyloxy)propan-2-yl octadecanoate ChemAxon average_mass 723.177 ChemAxon mono_mass 722.642440489 ChemAxon smiles [H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC ChemAxon formula C45H86O6 ChemAxon inchi InChI=1S/C45H86O6/c1-4-7-10-13-15-17-19-21-22-24-26-28-30-33-36-39-45(48)51-42(40-49-43(46)37-34-31-12-9-6-3)41-50-44(47)38-35-32-29-27-25-23-20-18-16-14-11-8-5-2/h42H,4-41H2,1-3H3/t42-/m0/s1 ChemAxon inchikey ZJAUYUAXPFDMAM-WBCKFURZSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 213.68 ChemAxon polarizability 96.26 ChemAxon rotatable_bond_count 44 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 621019 Specdb::MsMs 621020 Specdb::MsMs 621021 Specdb::MsMs 2312798 Specdb::MsMs 2312799 Specdb::MsMs 2312800 Specdb::MsMs 2410729 Specdb::MsMs 2410730 Specdb::MsMs 2410731 Specdb::MsMs 2459779 Specdb::MsMs 2459780 Specdb::MsMs 2459781 Specdb::MsMs 2554816 Specdb::MsMs 2554817 Specdb::MsMs 2554818 Specdb::MsMs 2881193 Specdb::MsMs 2881194 Specdb::MsMs 2881195 FDB044680 131779473