2.0 2012-08-09 09:25:21 -0600 2015-06-03 17:21:44 -0600 ECMDB21534 M2MDB001929 Glycerol-1-monopalmitate Glycerol-1-monopalmitate is a member of the chemical class known as Monoacylglycerols. These are glycerides consisting of one fatty acid chain covalently bonded to a glycerol molecule through an ester linkage. (inferred from compound structure) (.+/-.)-2,3-Dihydroxypropyl hexadecanoate (.+/-.)-2,3-Dihydroxypropyl hexadecanoic acid 1-Glycerol hexadecanoate 1-Glycerol hexadecanoic acid 1-Mono-Palmitin 1-Monopalmitin 1-Monopalmitoylglycerol 1-Palmitoylglycerol 2,3-Dihydroxypropyl palmitate 2,3-Dihydroxypropyl palmitate (ACD/Name 4.0) 2,3-Dihydroxypropyl palmitic acid 2,3-Dihydroxypropyl palmitic acid (ACD/Name 4.0) a-Monopalmitin Alpha-Monopalmitin Glycerol 1-monopalmitate Glycerol 1-monopalmitic acid Glycerol 1-palmitate Glycerol 1-palmitic acid Glycerol 3-palmitate Glycerol 3-palmitic acid Glycerol a-palmitate Glycerol a-palmitic acid Glycerol alpha-palmitate Glycerol alpha-palmitic acid Glycerol α-palmitate Glycerol α-palmitic acid Glycerol-1-monopalmitic acid Glyceryl palmitate Glyceryl palmitic acid Hexadecanoate, 2,3-dihydroxypropyl ester Hexadecanoic acid, 2,3-dihydroxypropyl ester Monopalmitin-monoglyceride Palmitate &alpha Palmitate a-monoglyceride Palmitate alpha-monoglyceride Palmitate α-monoglyceride Palmitic acid &alpha Palmitic acid a-monoglyceride Palmitic acid alpha-monoglyceride Palmitic acid α-monoglyceride α-Monopalmitin C19H38O4 330.5026 330.277009704 2,3-dihydroxypropyl hexadecanoate 2,3-dihydroxypropyl hexadecanoate 542-44-9 CCCCCCCCCCCCCCCC(=O)OCC(O)CO InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3 QHZLMUACJMDIAE-UHFFFAOYSA-N Membrane logp 5.73 ALOGPS logs -4.85 ALOGPS solubility 4.70e-03 g/l ALOGPS logp 5.08 ChemAxon pka_strongest_acidic 13.62 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2,3-dihydroxypropyl hexadecanoate ChemAxon average_mass 330.5026 ChemAxon mono_mass 330.277009704 ChemAxon smiles CCCCCCCCCCCCCCCC(=O)OCC(O)CO ChemAxon formula C19H38O4 ChemAxon inchi InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3 ChemAxon inchikey QHZLMUACJMDIAE-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 94.11 ChemAxon polarizability 42.15 ChemAxon rotatable_bond_count 18 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 32366 Specdb::CMs 42344 Specdb::CMs 108547 Specdb::CMs 121139 Specdb::CMs 818172 Specdb::CMs 818173 Specdb::CMs 818174 Specdb::CMs 818175 Specdb::CMs 818176 Specdb::NmrOneD 344228 Specdb::NmrOneD 344229 Specdb::NmrOneD 344230 Specdb::NmrOneD 344231 Specdb::NmrOneD 344232 Specdb::NmrOneD 344233 Specdb::NmrOneD 344234 Specdb::NmrOneD 344235 Specdb::NmrOneD 344236 Specdb::NmrOneD 344237 Specdb::NmrOneD 344238 Specdb::NmrOneD 344239 Specdb::NmrOneD 344240 Specdb::NmrOneD 344241 Specdb::NmrOneD 344242 Specdb::NmrOneD 344243 Specdb::NmrOneD 344244 Specdb::NmrOneD 344245 Specdb::NmrOneD 344246 Specdb::NmrOneD 344247 Specdb::MsMs 450020 Specdb::MsMs 450021 Specdb::MsMs 450022 Specdb::MsMs 450023 Specdb::MsMs 450024 Specdb::MsMs 450025 Specdb::MsMs 452269 Specdb::MsMs 452270 Specdb::MsMs 452271 Specdb::MsMs 684766 Specdb::MsMs 684767 Specdb::MsMs 684768 Specdb::MsMs 3403588 Specdb::MsMs 3403589 Specdb::MsMs 3403590 Specdb::MsMs 3403591 Specdb::MsMs 3403592 Specdb::MsMs 3403593 1321 14201 van der Werf, M. J., Overkamp, K. M., Muilwijk, B., Coulier, L., Hankemeier, T. (2007). "Microbial metabolomics: toward a platform with full metabolome coverage." Anal Biochem 370:17-25. 17765195 Yurtsever D. (2007). Fatty acid methyl ester profiling of Enterococcus and Esherichia coli for microbial source tracking. M.sc. Thesis. Villanova University: U.S.A