1.0 2010-04-08 22:05:36 UTC 2019-11-26 02:58:14 UTC FDB002959 Glycerol 1-octadecanoate 2-(9Z-octadecenoate) 3-hexadecanoate Constituent of cocoa butter and confectionery fats. Derived from palm oil. Coating agent. Glycerol 1-octadecanoate 2-(9Z-octadecenoate) 3-hexadecanoate is found in cocoa and cocoa products and fats and oils. 1-Hexadecanoyl-2-(9Z-octadecenoyl)-3-octadecanoyl-glycerol 1-Palmitoyl-2-oleoyl-3-stearoyl-glycerol 9-Octadecenoic acid 1-[[(1-oxohexadecyl)oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester a-Stearo-b-oleopalmitin Glycerol 1-hexadecanoate 3-octadecanoate 2-(9Z-octadecenoate) Glyceryltrioleate,tech TAG(16:0/18:1/18:0) TAG(52:1) TG(16:0/18:1/18:0) TG(52:1) Tracylglycerol(16:0/18:1/18:0) Tracylglycerol(52:1) C55H104O6 861.4107 860.78329106 1-(hexadecanoyloxy)-3-(octadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate 1-(hexadecanoyloxy)-3-(octadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate 2190-27-4 CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h26,28,52H,4-25,27,29-51H2,1-3H3/b28-26- QXPXMOHHFYONAC-SGEDCAFJSA-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. Triacylglycerols Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Aliphatic acyclic compounds 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 Solid logp 10.71 ALOGPS logs -7.89 ALOGPS solubility 1.10e-05 g/l ALOGPS melting_point Mp 37-38° (racemate) logp 20.34 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 1-(hexadecanoyloxy)-3-(octadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate ChemAxon average_mass 861.4107 ChemAxon mono_mass 860.78329106 ChemAxon smiles CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC ChemAxon formula C55H104O6 ChemAxon inchi InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h26,28,52H,4-25,27,29-51H2,1-3H3/b28-26- ChemAxon inchikey QXPXMOHHFYONAC-SGEDCAFJSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 260.81 ChemAxon polarizability 116.75 ChemAxon rotatable_bond_count 53 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon HMDB44110 Cocoa and cocoa products Unknown generic Cocoa bean Type 1 specific Theobroma cacao 3641 Fats and oils Unknown generic 2-acylglycerol O-acyltransferase 1 Q96PD6 MOGAT1 2-acylglycerol O-acyltransferase 2 Q3SYC2 MOGAT2 2-acylglycerol O-acyltransferase 3 Q86VF5 MOGAT3 Apolipoprotein A-I P02647 APOA1 Apolipoprotein B-100 P04114 APOB Apolipoprotein E P02649 APOE Carnitine O-palmitoyltransferase 1, liver isoform P50416 CPT1A Carnitine O-palmitoyltransferase 1, muscle isoform Q92523 CPT1B Carnitine O-palmitoyltransferase 2, mitochondrial P23786 CPT2 Diacylglycerol O-acyltransferase 1 O75907 DGAT1 Diacylglycerol O-acyltransferase 2 Q96PD7 DGAT2 Endothelial lipase Q9Y5X9 LIPG Gastric triacylglycerol lipase P07098 LIPF Hepatic triacylglycerol lipase P11150 LIPC Inactive pancreatic lipase-related protein 1 P54315 PNLIPRP1 Lipoprotein lipase P06858 LPL Liver carboxylesterase 1 P23141 CES1 Lysosomal acid lipase/cholesteryl ester hydrolase P38571 LIPA Monoglyceride lipase Q99685 MGLL Pancreatic lipase-related protein 2 P54317 PNLIPRP2 Pancreatic triacylglycerol lipase P16233 PNLIP Patatin-like phospholipase domain-containing protein 3 Q9NST1 PNPLA3 Patatin-like phospholipase domain-containing protein 4 P41247 PNPLA4 Protein disulfide-isomerase P07237 P4HB