2.0 2012-07-30 14:54:41 -0600 2015-06-03 17:20:44 -0600 ECMDB21146 M2MDB001555 2-Acyl-sn-glycero-3-phosphoglycerol (n-C12:0) 2-acyl-sn-glycero-3-phosphoglycerol (n-c12:0) 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). 1-acyl-sn-glycero-3-phosphoglycerol (n-C12:0) C18H36O9P 427.4468 427.209694262 3-[(2,3-dihydroxypropyl phosphonato)oxy]-2-hydroxypropyl dodecanoate 3-[(2,3-dihydroxypropyl phosphonato)oxy]-2-hydroxypropyl dodecanoate CCCCCCCCCCCC(=O)OCC(O)COP([O-])(=O)OCC(O)CO InChI=1S/C18H37O9P/c1-2-3-4-5-6-7-8-9-10-11-18(22)25-13-17(21)15-27-28(23,24)26-14-16(20)12-19/h16-17,19-21H,2-15H2,1H3,(H,23,24)/p-1 IACXMECMZISNLR-UHFFFAOYSA-M Membrane logp 1.98 ALOGPS logs -2.85 ALOGPS solubility 6.34e-01 g/l ALOGPS logp 2.24 ChemAxon pka_strongest_acidic 1.89 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3-[(2,3-dihydroxypropyl phosphonato)oxy]-2-hydroxypropyl dodecanoate ChemAxon average_mass 427.4468 ChemAxon mono_mass 427.209694262 ChemAxon smiles CCCCCCCCCCCC(=O)OCC(O)COP([O-])(=O)OCC(O)CO ChemAxon formula C18H36O9P ChemAxon inchi InChI=1S/C18H37O9P/c1-2-3-4-5-6-7-8-9-10-11-18(22)25-13-17(21)15-27-28(23,24)26-14-16(20)12-19/h16-17,19-21H,2-15H2,1H3,(H,23,24)/p-1 ChemAxon inchikey IACXMECMZISNLR-UHFFFAOYSA-M ChemAxon polar_surface_area 145.58 ChemAxon refractivity 102.19 ChemAxon polarizability 45.73 ChemAxon rotatable_bond_count 20 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge -1 ChemAxon Specdb::NmrOneD 268328 Specdb::NmrOneD 268329 Specdb::NmrOneD 268330 Specdb::NmrOneD 268331 Specdb::NmrOneD 268332 Specdb::NmrOneD 268333 Specdb::NmrOneD 268334 Specdb::NmrOneD 268335 Specdb::NmrOneD 268336 Specdb::NmrOneD 268337 Specdb::NmrOneD 268338 Specdb::NmrOneD 268339 Specdb::NmrOneD 268340 Specdb::NmrOneD 268341 Specdb::NmrOneD 268342 Specdb::NmrOneD 268343 Specdb::NmrOneD 268344 Specdb::NmrOneD 268345 Specdb::NmrOneD 268346 Specdb::NmrOneD 268347 Specdb::MsMs 23978 Specdb::MsMs 23979 Specdb::MsMs 23980 Specdb::MsMs 30776 Specdb::MsMs 30777 Specdb::MsMs 30778 Yurtsever D. (2007). Fatty acid methyl ester profiling of Enterococcus and Esherichia coli for microbial source tracking. M.sc. Thesis. Villanova University: U.S.A 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-C12:0) + Adenosine triphosphate + Dodecanoate (N-C12:0) > Adenosine monophosphate + PG(12:0/12:0) + Pyrophosphate Water + PG(12:0/12:0) > 2-Acyl-sn-glycero-3-phosphoglycerol (n-C12:0) + Dodecanoate (N-C12:0) + Hydrogen ion 2-Acyl-sn-glycero-3-phosphoglycerol (n-C12:0) + Water > Dodecanoate (N-C12:0) + Glycerophosphoglycerol + Hydrogen ion 2-Acyl-sn-glycero-3-phosphoglycerol (n-C12:0) + PG(12:0/12:0) > Acyl phosphatidylglycerol (N-C12:0) + Glycerophosphoglycerol