2.02012-07-30 14:54:39 -06002015-06-03 17:20:40 -0600ECMDB21119M2MDB0015281-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)C23H43NO7P476.5638476.277714247{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-MMembranePeriplasmlogp5.49logs-5.16solubility3.68e-03 g/llogp4.18pka_strongest_acidic1.89pka_strongest_basic-3.5iupac{2-[(2-hydroxy-3-{[(9E)-1-(λ³-oxidanyliumylidene)octadec-9-en-1-yl]oxy}propyl phosphonato)oxy]ethyl}azanylideneaverage_mass476.5638mono_mass476.277714247smiles[H]\C(CCCCCCCC)=C(\[H])CCCCCCCC(=[O+])OCC(O)COP([O-])(=O)OCC[N]formulaC23H43NO7PinchiInChI=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+inchikeyPRJOHPHYHOVCBM-MDZDMXLPSA-Mpolar_surface_area105.12refractivity125.09polarizability54.87rotatable_bond_count24acceptor_count4donor_count1physiological_charge0formal_charge0Specdb::NmrOneD280258Specdb::NmrOneD280259Specdb::NmrOneD280260Specdb::NmrOneD280261Specdb::NmrOneD280262Specdb::NmrOneD280263Specdb::NmrOneD280264Specdb::NmrOneD280265Specdb::NmrOneD280266Specdb::NmrOneD280267Specdb::NmrOneD280268Specdb::NmrOneD280269Specdb::NmrOneD280270Specdb::NmrOneD280271Specdb::NmrOneD280272Specdb::NmrOneD280273Specdb::NmrOneD280274Specdb::NmrOneD280275Specdb::NmrOneD280276Specdb::NmrOneD280277Specdb::MsMs27257Specdb::MsMs27258Specdb::MsMs27259Specdb::MsMs33815Specdb::MsMs33816Specdb::MsMs33817CPD0-2150Phospholipase A1P0A921PA1_ECOLIpldAhttp://ecmdb.ca/proteins/P0A921.xmlAcyl-CoA thioesterase IP0ADA1TESA_ECOLItesAhttp://ecmdb.ca/proteins/P0ADA1.xml1-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)