2.0 2012-07-30 14:54:39 -0600 2015-06-03 17:20:40 -0600 ECMDB21116 M2MDB001525 1-Acyl-sn-glycero-3-phosphoethanolamine (N-C16:0) 1-acyl-sn-glycero-3-phosphoethanolamine (n-c16:0) belongs to the class of Lysophosphatidylethanolamines. These are glycerophosphoetahnolamines (molecules containing an ethanolamine moiety attached to the phosphate group linked to a glycerol) with one saturated fatty acid bonded to the glycerol moiety through an ester linkage. (inferred from compound structure) 1-16:0-LysoPE 1-Acyl-sn-glycero-3-phosphoethanolamine (N-C16:0) 1-Hexadecanoyl-sn-glycero-3-phosphoethanolamine C21H44NO7P 453.5503 453.285539279 (2-aminoethoxy)[3-(hexadecanoyloxy)-2-hydroxypropoxy]phosphinic acid 2-aminoethoxy(3-(hexadecanoyloxy)-2-hydroxypropoxy)phosphinic acid CCCCCCCCCCCCCCCC(=O)OCC(O)COP(O)(=O)OCCN InChI=1S/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26) YVYMBNSKXOXSKW-UHFFFAOYSA-N Membrane Periplasm logp 4.10 ALOGPS logs -5.28 ALOGPS solubility 2.37e-03 g/l ALOGPS logp 3.53 ChemAxon pka_strongest_acidic 1.87 ChemAxon pka_strongest_basic 10 ChemAxon iupac (2-aminoethoxy)[3-(hexadecanoyloxy)-2-hydroxypropoxy]phosphinic acid ChemAxon average_mass 453.5503 ChemAxon mono_mass 453.285539279 ChemAxon smiles CCCCCCCCCCCCCCCC(=O)OCC(O)COP(O)(=O)OCCN ChemAxon formula C21H44NO7P ChemAxon inchi InChI=1S/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26) ChemAxon inchikey YVYMBNSKXOXSKW-UHFFFAOYSA-N ChemAxon polar_surface_area 128.31 ChemAxon refractivity 117.41 ChemAxon polarizability 52.74 ChemAxon rotatable_bond_count 23 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 115752 Specdb::CMs 130220 Specdb::CMs 953759 Specdb::CMs 953760 Specdb::CMs 953761 Specdb::CMs 953762 Specdb::CMs 953763 Specdb::CMs 953764 Specdb::MsMs 25892 Specdb::MsMs 25893 Specdb::MsMs 25894 Specdb::MsMs 32450 Specdb::MsMs 32451 Specdb::MsMs 32452 Specdb::MsMs 2237720 Specdb::MsMs 2237788 Specdb::MsMs 2239796 5256421 80521 CPD-8353 Phospholipase A1 P0A921 PA1_ECOLI pldA http://ecmdb.ca/proteins/P0A921.xml Acyl-CoA thioesterase I P0ADA1 TESA_ECOLI tesA http://ecmdb.ca/proteins/P0ADA1.xml 1-Acyl-sn-glycero-3-phosphoethanolamine (N-C16:0) + Water > Glycerylphosphorylethanolamine + Hydrogen ion + Palmitic acid Water + PE(14:0/14:0) > 1-Acyl-sn-glycero-3-phosphoethanolamine (N-C16:0) + Hydrogen ion + Palmitic acid