2.0 2012-07-30 14:54:41 -0600 2015-06-03 17:20:44 -0600 ECMDB21147 M2MDB001556 2-Acyl-sn-glycero-3-phosphoglycerol (N-C14:0) 2-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). 2-14:0-Lysophosphatidylglycerol 2-Acyl-sn-glycero-3-phosphoglycerol (N-C14:0) C20H40O9P 455.5 455.24099439 1-[(2,3-dihydroxypropyl phosphonato)oxy]-3-hydroxypropan-2-yl tetradecanoate 1-[(2,3-dihydroxypropyl phosphonato)oxy]-3-hydroxypropan-2-yl tetradecanoate CCCCCCCCCCCCCC(=O)OC(CO)COP([O-])(=O)OCC(O)CO InChI=1S/C20H41O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(24)29-19(15-22)17-28-30(25,26)27-16-18(23)14-21/h18-19,21-23H,2-17H2,1H3,(H,25,26)/p-1 NHYJQQUDLXESED-UHFFFAOYSA-M Cytosol Membrane Periplasm logp 2.70 ALOGPS logs -3.90 ALOGPS solubility 5.93e-02 g/l ALOGPS logp 3.13 ChemAxon pka_strongest_acidic 1.89 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1-[(2,3-dihydroxypropyl phosphonato)oxy]-3-hydroxypropan-2-yl tetradecanoate ChemAxon average_mass 455.5 ChemAxon mono_mass 455.24099439 ChemAxon smiles CCCCCCCCCCCCCC(=O)OC(CO)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)29-19(15-22)17-28-30(25,26)27-16-18(23)14-21/h18-19,21-23H,2-17H2,1H3,(H,25,26)/p-1 ChemAxon inchikey NHYJQQUDLXESED-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 326562 Specdb::NmrOneD 326563 Specdb::NmrOneD 326564 Specdb::NmrOneD 326565 Specdb::NmrOneD 326566 Specdb::NmrOneD 326567 Specdb::NmrOneD 326568 Specdb::NmrOneD 326569 Specdb::NmrOneD 326570 Specdb::NmrOneD 326571 Specdb::NmrOneD 326572 Specdb::NmrOneD 326573 Specdb::NmrOneD 326574 Specdb::NmrOneD 326575 Specdb::NmrOneD 326576 Specdb::NmrOneD 326577 Specdb::NmrOneD 326578 Specdb::NmrOneD 326579 Specdb::NmrOneD 326580 Specdb::NmrOneD 326581 Specdb::MsMs 29288 Specdb::MsMs 29289 Specdb::MsMs 29290 Specdb::MsMs 35846 Specdb::MsMs 35847 Specdb::MsMs 35848 45479710 CPD0-2173 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-C14:0) + Adenosine triphosphate + tetradecanoate (n-C14:0) > Adenosine monophosphate + PG(14:0/14:0) + Pyrophosphate Water + PG(14:0/14:0) > 2-Acyl-sn-glycero-3-phosphoglycerol (N-C14:0) + Hydrogen ion + tetradecanoate (n-C14:0) 2-Acyl-sn-glycero-3-phosphoglycerol (N-C14:0) + Water > Glycerophosphoglycerol + Hydrogen ion + tetradecanoate (n-C14:0) 2-Acyl-sn-glycero-3-phosphoglycerol (N-C14:0) + PG(14:0/14:0) > Acyl phosphatidylglycerol (N-C14:0) + Glycerophosphoglycerol