2.0 2012-07-30 14:54:41 -0600 2015-06-03 17:20:43 -0600 ECMDB21139 M2MDB001548 2-Acyl-sn-glycero-3-phosphoethanolamine (N-C12:0) 2-acyl-sn-glycero-3-phosphoethanolamine (n-c12:0) 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) C17H36NO7P 397.444 397.222939023 (2-aminoethoxy)[2-(dodecanoyloxy)-3-hydroxypropoxy]phosphinic acid 2-aminoethoxy(2-(dodecanoyloxy)-3-hydroxypropoxy)phosphinic acid CCCCCCCCCCCC(=O)OC(CO)COP(O)(=O)OCCN InChI=1S/C17H36NO7P/c1-2-3-4-5-6-7-8-9-10-11-17(20)25-16(14-19)15-24-26(21,22)23-13-12-18/h16,19H,2-15,18H2,1H3,(H,21,22) NPAZKTOOMVQLIH-UHFFFAOYSA-N Cytosol Periplasm logp 1.99 ALOGPS logs -3.42 ALOGPS solubility 1.53e-01 g/l ALOGPS logp 1.75 ChemAxon pka_strongest_acidic 1.87 ChemAxon pka_strongest_basic 10 ChemAxon iupac (2-aminoethoxy)[2-(dodecanoyloxy)-3-hydroxypropoxy]phosphinic acid ChemAxon average_mass 397.444 ChemAxon mono_mass 397.222939023 ChemAxon smiles CCCCCCCCCCCC(=O)OC(CO)COP(O)(=O)OCCN ChemAxon formula C17H36NO7P ChemAxon inchi InChI=1S/C17H36NO7P/c1-2-3-4-5-6-7-8-9-10-11-17(20)25-16(14-19)15-24-26(21,22)23-13-12-18/h16,19H,2-15,18H2,1H3,(H,21,22) ChemAxon inchikey NPAZKTOOMVQLIH-UHFFFAOYSA-N ChemAxon polar_surface_area 128.31 ChemAxon refractivity 99.01 ChemAxon polarizability 43.85 ChemAxon rotatable_bond_count 19 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1084454 Specdb::NmrOneD 294915 Specdb::NmrOneD 294916 Specdb::NmrOneD 294917 Specdb::NmrOneD 294918 Specdb::NmrOneD 294919 Specdb::NmrOneD 294920 Specdb::NmrOneD 294921 Specdb::NmrOneD 294922 Specdb::NmrOneD 294923 Specdb::NmrOneD 294924 Specdb::NmrOneD 294925 Specdb::NmrOneD 294926 Specdb::NmrOneD 294927 Specdb::NmrOneD 294928 Specdb::NmrOneD 294929 Specdb::NmrOneD 294930 Specdb::NmrOneD 294931 Specdb::NmrOneD 294932 Specdb::NmrOneD 294933 Specdb::NmrOneD 294934 Specdb::MsMs 27434 Specdb::MsMs 27435 Specdb::MsMs 27436 Specdb::MsMs 33992 Specdb::MsMs 33993 Specdb::MsMs 33994 46173424 CPD0-2178 Lysophospholipase L2 P07000 PLDB_ECOLI pldB http://ecmdb.ca/proteins/P07000.xml Phospholipase A1 P0A921 PA1_ECOLI pldA http://ecmdb.ca/proteins/P0A921.xml Bifunctional protein aas P31119 AAS_ECOLI aas http://ecmdb.ca/proteins/P31119.xml Lysophospholipid transporter lplT P39196 LPLT_ECOLI lplT http://ecmdb.ca/proteins/P39196.xml 2-Acyl-sn-glycero-3-phosphoethanolamine (N-C12:0) + Adenosine triphosphate + Dodecanoate (N-C12:0) > Adenosine monophosphate + PE(14:0/14:0) + Pyrophosphate Water + PE(14:0/14:0) > 2-Acyl-sn-glycero-3-phosphoethanolamine (N-C12:0) + Dodecanoate (N-C12:0) + Hydrogen ion 2-Acyl-sn-glycero-3-phosphoethanolamine (N-C12:0) + Water > Dodecanoate (N-C12:0) + Glycerylphosphorylethanolamine + Hydrogen ion 2-Acyl-sn-glycero-3-phosphoethanolamine (N-C12:0) + PG(12:0/12:0) > Acyl phosphatidylglycerol (N-C12:0) + Glycerylphosphorylethanolamine