2.0 2012-07-30 14:54:39 -0600 2015-06-03 17:20:40 -0600 ECMDB21118 M2MDB001527 1-Acyl-sn-glycero-3-phosphoethanolamine (N-C18:0) 1-acyl-sn-glycero-3-phosphoethanolamine (n-c18:0) 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) C23H48NO7P 481.6035 481.316839407 (2-aminoethoxy)[2-hydroxy-3-(octadecanoyloxy)propoxy]phosphinic acid 2-aminoethoxy(2-hydroxy-3-(octadecanoyloxy)propoxy)phosphinic acid CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(O)(=O)OCCN InChI=1S/C23H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h22,25H,2-21,24H2,1H3,(H,27,28) BBYWOYAFBUOUFP-UHFFFAOYSA-N Membrane Periplasm logp 4.72 ALOGPS logs -5.51 ALOGPS solubility 1.48e-03 g/l ALOGPS logp 4.42 ChemAxon pka_strongest_acidic 1.87 ChemAxon pka_strongest_basic 10 ChemAxon iupac (2-aminoethoxy)[2-hydroxy-3-(octadecanoyloxy)propoxy]phosphinic acid ChemAxon average_mass 481.6035 ChemAxon mono_mass 481.316839407 ChemAxon smiles CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(O)(=O)OCCN ChemAxon formula C23H48NO7P ChemAxon inchi InChI=1S/C23H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h22,25H,2-21,24H2,1H3,(H,27,28) ChemAxon inchikey BBYWOYAFBUOUFP-UHFFFAOYSA-N ChemAxon polar_surface_area 128.31 ChemAxon refractivity 126.61 ChemAxon polarizability 57.02 ChemAxon rotatable_bond_count 25 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1086262 Specdb::NmrOneD 278138 Specdb::NmrOneD 278139 Specdb::NmrOneD 278140 Specdb::NmrOneD 278141 Specdb::NmrOneD 278142 Specdb::NmrOneD 278143 Specdb::NmrOneD 278144 Specdb::NmrOneD 278145 Specdb::NmrOneD 278146 Specdb::NmrOneD 278147 Specdb::NmrOneD 278148 Specdb::NmrOneD 278149 Specdb::NmrOneD 278150 Specdb::NmrOneD 278151 Specdb::NmrOneD 278152 Specdb::NmrOneD 278153 Specdb::NmrOneD 278154 Specdb::NmrOneD 278155 Specdb::NmrOneD 278156 Specdb::NmrOneD 278157 Specdb::MsMs 24053 Specdb::MsMs 24054 Specdb::MsMs 24055 Specdb::MsMs 30851 Specdb::MsMs 30852 Specdb::MsMs 30853 46173152 CPD0-2152 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-C18:0) + Water > Glycerylphosphorylethanolamine + Hydrogen ion + Octadecanoate (N-C18:0) Water + PE(14:0/14:0) > 1-Acyl-sn-glycero-3-phosphoethanolamine (N-C18:0) + Hydrogen ion + Octadecanoate (N-C18:0)