2.0 2012-07-30 14:54:39 -0600 2015-06-03 17:20:40 -0600 ECMDB21119 M2MDB001528 1-Acyl-sn-glycero-3-phosphoethanolamine (N-C18:1) 1-acyl-sn-glycero-3-phosphoethanolamine (n-c18:1) belongs to the class of Lysophosphatidylglycerols. These are glycerophosphoglycerols (molecules containing a glycerol moiety attached to the phosphate group linked to a glycerol) in which only one fatty acid is bonded to the 1-glycerol moiety (through an ester linkage). (inferred from compound structure) C23H43NO7P 476.5638 476.277714247 {2-[(2-hydroxy-3-{[(9E)-1-(λ³-oxidanyliumylidene)octadec-9-en-1-yl]oxy}propyl phosphonato)oxy]ethyl}azanylidene {2-[(2-hydroxy-3-{[(9E)-1-(λ³-oxidanyliumylidene)octadec-9-en-1-yl]oxy}propyl phosphonato)oxy]ethyl}azanylidene [H]\C(CCCCCCCC)=C(\[H])CCCCCCCC(=[O+])OCC(O)COP([O-])(=O)OCC[N] InChI=1S/C23H44NO7P/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/h9-10,22,25H,2-8,11-21H2,1H3,(H,27,28)/q+1/p-1/b10-9+ PRJOHPHYHOVCBM-MDZDMXLPSA-M Membrane Periplasm logp 5.49 ALOGPS logs -5.16 ALOGPS solubility 3.68e-03 g/l ALOGPS logp 4.18 ChemAxon pka_strongest_acidic 1.89 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac {2-[(2-hydroxy-3-{[(9E)-1-(λ³-oxidanyliumylidene)octadec-9-en-1-yl]oxy}propyl phosphonato)oxy]ethyl}azanylidene ChemAxon average_mass 476.5638 ChemAxon mono_mass 476.277714247 ChemAxon smiles [H]\C(CCCCCCCC)=C(\[H])CCCCCCCC(=[O+])OCC(O)COP([O-])(=O)OCC[N] ChemAxon formula C23H43NO7P ChemAxon inchi InChI=1S/C23H44NO7P/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/h9-10,22,25H,2-8,11-21H2,1H3,(H,27,28)/q+1/p-1/b10-9+ ChemAxon inchikey PRJOHPHYHOVCBM-MDZDMXLPSA-M ChemAxon polar_surface_area 105.12 ChemAxon refractivity 125.09 ChemAxon polarizability 54.87 ChemAxon rotatable_bond_count 24 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 280258 Specdb::NmrOneD 280259 Specdb::NmrOneD 280260 Specdb::NmrOneD 280261 Specdb::NmrOneD 280262 Specdb::NmrOneD 280263 Specdb::NmrOneD 280264 Specdb::NmrOneD 280265 Specdb::NmrOneD 280266 Specdb::NmrOneD 280267 Specdb::NmrOneD 280268 Specdb::NmrOneD 280269 Specdb::NmrOneD 280270 Specdb::NmrOneD 280271 Specdb::NmrOneD 280272 Specdb::NmrOneD 280273 Specdb::NmrOneD 280274 Specdb::NmrOneD 280275 Specdb::NmrOneD 280276 Specdb::NmrOneD 280277 Specdb::MsMs 27257 Specdb::MsMs 27258 Specdb::MsMs 27259 Specdb::MsMs 33815 Specdb::MsMs 33816 Specdb::MsMs 33817 CPD0-2150 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-C18:1) + Water > Glycerylphosphorylethanolamine + Hydrogen ion + Octadecenoate (N-C18:1) Water + PE(14:0/14:0) > 1-Acyl-sn-glycero-3-phosphoethanolamine (N-C18:1) + Hydrogen ion + Octadecenoate (N-C18:1)