2.0 2012-07-30 14:54:41 -0600 2015-06-03 17:20:45 -0600 ECMDB21151 M2MDB001560 2-Acyl-sn-glycero-3-phosphoglycerol (N-C18:0) 2-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). 2-acyl-sn-glycero-3-phosphoglycerol (n-C18:0) C24H48O9P 511.6063 511.303594646 1-[(2,3-dihydroxypropyl phosphonato)oxy]-3-hydroxypropan-2-yl octadecanoate 1-[(2,3-dihydroxypropyl phosphonato)oxy]-3-hydroxypropan-2-yl octadecanoate CCCCCCCCCCCCCCCCCC(=O)OC(CO)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)33-23(19-26)21-32-34(29,30)31-20-22(27)18-25/h22-23,25-27H,2-21H2,1H3,(H,29,30)/p-1 ZYKIFISVQNGKFE-UHFFFAOYSA-M Cytosol Membrane Periplasm logp 4.37 ALOGPS logs -5.35 ALOGPS solubility 2.36e-03 g/l ALOGPS logp 4.91 ChemAxon pka_strongest_acidic 1.89 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1-[(2,3-dihydroxypropyl phosphonato)oxy]-3-hydroxypropan-2-yl octadecanoate ChemAxon average_mass 511.6063 ChemAxon mono_mass 511.303594646 ChemAxon smiles CCCCCCCCCCCCCCCCCC(=O)OC(CO)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)33-23(19-26)21-32-34(29,30)31-20-22(27)18-25/h22-23,25-27H,2-21H2,1H3,(H,29,30)/p-1 ChemAxon inchikey ZYKIFISVQNGKFE-UHFFFAOYSA-M ChemAxon polar_surface_area 145.58 ChemAxon refractivity 129.8 ChemAxon polarizability 58.19 ChemAxon rotatable_bond_count 26 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge -1 ChemAxon Specdb::NmrOneD 291135 Specdb::NmrOneD 291136 Specdb::NmrOneD 291137 Specdb::NmrOneD 291138 Specdb::NmrOneD 291139 Specdb::NmrOneD 291140 Specdb::NmrOneD 291141 Specdb::NmrOneD 291142 Specdb::NmrOneD 291143 Specdb::NmrOneD 291144 Specdb::NmrOneD 291145 Specdb::NmrOneD 291146 Specdb::NmrOneD 291147 Specdb::NmrOneD 291148 Specdb::NmrOneD 291149 Specdb::NmrOneD 291150 Specdb::NmrOneD 291151 Specdb::NmrOneD 291152 Specdb::NmrOneD 291153 Specdb::NmrOneD 291154 Specdb::MsMs 28163 Specdb::MsMs 28164 Specdb::MsMs 28165 Specdb::MsMs 34721 Specdb::MsMs 34722 Specdb::MsMs 34723 45479453 CPD0-2133 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-phosphoglycerol (N-C18:0) + Adenosine triphosphate + Octadecanoate (N-C18:0) > Adenosine monophosphate + PG(18:0/18:0) + Pyrophosphate Water + PG(18:0/18:0) > 2-Acyl-sn-glycero-3-phosphoglycerol (N-C18:0) + Hydrogen ion + Octadecanoate (N-C18:0) 2-Acyl-sn-glycero-3-phosphoglycerol (N-C18:0) + Water > Glycerophosphoglycerol + Hydrogen ion + Octadecanoate (N-C18:0) 2-Acyl-sn-glycero-3-phosphoglycerol (N-C18:0) + PG(18:0/18:0) > Acyl phosphatidylglycerol (N-C18:0) + Glycerophosphoglycerol