2.0 2012-07-30 14:54:39 -0600 2015-06-03 17:20:41 -0600 ECMDB21125 M2MDB001534 1-Acyl-sn-glycero-3-phosphoglycerol (N-C18:0) 1-acyl-sn-glycero-3-phosphoglycerol (n-c18:0) 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) 1-acyl-sn-glycero-3-phosphoglycerol (n-C18:0) C24H48O9P 511.6063 511.303594646 3-[(2,3-dihydroxypropyl phosphonato)oxy]-2-hydroxypropyl octadecanoate 3-[(2,3-dihydroxypropyl phosphonato)oxy]-2-hydroxypropyl octadecanoate CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP([O-])(=O)OCC(O)CO InChI=1S/C24H49O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)31-19-23(27)21-33-34(29,30)32-20-22(26)18-25/h22-23,25-27H,2-21H2,1H3,(H,29,30)/p-1 HFJVKBVEKQHVTO-UHFFFAOYSA-M Membrane Periplasm logp 4.40 ALOGPS logs -5.42 ALOGPS solubility 2.02e-03 g/l ALOGPS logp 4.91 ChemAxon pka_strongest_acidic 1.89 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3-[(2,3-dihydroxypropyl phosphonato)oxy]-2-hydroxypropyl octadecanoate ChemAxon average_mass 511.6063 ChemAxon mono_mass 511.303594646 ChemAxon smiles CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP([O-])(=O)OCC(O)CO ChemAxon formula C24H48O9P ChemAxon inchi InChI=1S/C24H49O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)31-19-23(27)21-33-34(29,30)32-20-22(26)18-25/h22-23,25-27H,2-21H2,1H3,(H,29,30)/p-1 ChemAxon inchikey HFJVKBVEKQHVTO-UHFFFAOYSA-M ChemAxon polar_surface_area 145.58 ChemAxon refractivity 129.8 ChemAxon polarizability 58.45 ChemAxon rotatable_bond_count 26 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge -1 ChemAxon Specdb::MsMs 26012 Specdb::MsMs 26013 Specdb::MsMs 26014 Specdb::MsMs 32570 Specdb::MsMs 32571 Specdb::MsMs 32572 45479627 CPD0-2140 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-phosphoglycerol (N-C18:0) + Water > Glycerophosphoglycerol + Hydrogen ion + Octadecanoate (N-C18:0) Water + PG(18:0/18:0) > 1-Acyl-sn-glycero-3-phosphoglycerol (N-C18:0) + Hydrogen ion + Octadecanoate (N-C18:0)