2.0 2012-07-30 14:54:39 -0600 2015-06-03 17:20:41 -0600 ECMDB21121 M2MDB001530 1-Acyl-sn-glycero-3-phosphoglycerol (N-C14:0) 1-acyl-sn-glycero-3-phosphoglycerol (n-c14:0) 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-C14:0) C20H40O9P 455.5 455.24099439 3-[(2,3-dihydroxypropyl phosphonato)oxy]-2-hydroxypropyl tetradecanoate 3-[(2,3-dihydroxypropyl phosphonato)oxy]-2-hydroxypropyl tetradecanoate CCCCCCCCCCCCCC(=O)OCC(O)COP([O-])(=O)OCC(O)CO InChI=1S/C20H41O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(24)27-15-19(23)17-29-30(25,26)28-16-18(22)14-21/h18-19,21-23H,2-17H2,1H3,(H,25,26)/p-1 LUTDZDAPSDZVAL-UHFFFAOYSA-M Membrane Periplasm logp 2.75 ALOGPS logs -4.01 ALOGPS solubility 4.65e-02 g/l ALOGPS logp 3.13 ChemAxon pka_strongest_acidic 1.89 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3-[(2,3-dihydroxypropyl phosphonato)oxy]-2-hydroxypropyl tetradecanoate ChemAxon average_mass 455.5 ChemAxon mono_mass 455.24099439 ChemAxon smiles CCCCCCCCCCCCCC(=O)OCC(O)COP([O-])(=O)OCC(O)CO ChemAxon formula C20H40O9P ChemAxon inchi InChI=1S/C20H41O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(24)27-15-19(23)17-29-30(25,26)28-16-18(22)14-21/h18-19,21-23H,2-17H2,1H3,(H,25,26)/p-1 ChemAxon inchikey LUTDZDAPSDZVAL-UHFFFAOYSA-M ChemAxon polar_surface_area 145.58 ChemAxon refractivity 111.39 ChemAxon polarizability 49.97 ChemAxon rotatable_bond_count 22 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge -1 ChemAxon Specdb::NmrOneD 264848 Specdb::NmrOneD 264849 Specdb::NmrOneD 264850 Specdb::NmrOneD 264851 Specdb::NmrOneD 264852 Specdb::NmrOneD 264853 Specdb::NmrOneD 264854 Specdb::NmrOneD 264855 Specdb::NmrOneD 264856 Specdb::NmrOneD 264857 Specdb::NmrOneD 264858 Specdb::NmrOneD 264859 Specdb::NmrOneD 264860 Specdb::NmrOneD 264861 Specdb::NmrOneD 264862 Specdb::NmrOneD 264863 Specdb::NmrOneD 264864 Specdb::NmrOneD 264865 Specdb::NmrOneD 264866 Specdb::NmrOneD 264867 Specdb::MsMs 24836 Specdb::MsMs 24837 Specdb::MsMs 24838 Specdb::MsMs 31394 Specdb::MsMs 31395 Specdb::MsMs 31396 45479383 CPD0-2143 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-C14:0) + Water > Glycerophosphoglycerol + Hydrogen ion + tetradecanoate (n-C14:0) Water + PG(14:0/14:0) > 1-Acyl-sn-glycero-3-phosphoglycerol (N-C14:0) + Hydrogen ion + tetradecanoate (n-C14:0)