2.02012-07-30 14:54:41 -06002015-06-03 17:20:44 -0600ECMDB21146M2MDB0015552-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)C18H36O9P427.4468427.2096942623-[(2,3-dihydroxypropyl phosphonato)oxy]-2-hydroxypropyl dodecanoate3-[(2,3-dihydroxypropyl phosphonato)oxy]-2-hydroxypropyl dodecanoateCCCCCCCCCCCC(=O)OCC(O)COP([O-])(=O)OCC(O)COInChI=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-1IACXMECMZISNLR-UHFFFAOYSA-MMembranelogp1.98logs-2.85solubility6.34e-01 g/llogp2.24pka_strongest_acidic1.89pka_strongest_basic-3iupac3-[(2,3-dihydroxypropyl phosphonato)oxy]-2-hydroxypropyl dodecanoateaverage_mass427.4468mono_mass427.209694262smilesCCCCCCCCCCCC(=O)OCC(O)COP([O-])(=O)OCC(O)COformulaC18H36O9PinchiInChI=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-1inchikeyIACXMECMZISNLR-UHFFFAOYSA-Mpolar_surface_area145.58refractivity102.19polarizability45.73rotatable_bond_count20acceptor_count6donor_count3physiological_charge-1formal_charge-1Specdb::NmrOneD268328Specdb::NmrOneD268329Specdb::NmrOneD268330Specdb::NmrOneD268331Specdb::NmrOneD268332Specdb::NmrOneD268333Specdb::NmrOneD268334Specdb::NmrOneD268335Specdb::NmrOneD268336Specdb::NmrOneD268337Specdb::NmrOneD268338Specdb::NmrOneD268339Specdb::NmrOneD268340Specdb::NmrOneD268341Specdb::NmrOneD268342Specdb::NmrOneD268343Specdb::NmrOneD268344Specdb::NmrOneD268345Specdb::NmrOneD268346Specdb::NmrOneD268347Specdb::MsMs23978Specdb::MsMs23979Specdb::MsMs23980Specdb::MsMs30776Specdb::MsMs30777Specdb::MsMs30778Yurtsever D. (2007). Fatty acid methyl ester profiling of Enterococcus and Esherichia coli for microbial source tracking. M.sc. Thesis. Villanova University: U.S.ALysophospholipase L2P07000PLDB_ECOLIpldBhttp://ecmdb.ca/proteins/P07000.xmlPhospholipase A1P0A921PA1_ECOLIpldAhttp://ecmdb.ca/proteins/P0A921.xmlBifunctional protein aasP31119AAS_ECOLIaashttp://ecmdb.ca/proteins/P31119.xmlLysophospholipid transporter lplTP39196LPLT_ECOLIlplThttp://ecmdb.ca/proteins/P39196.xml2-Acyl-sn-glycero-3-phosphoglycerol (n-C12:0) + Adenosine triphosphate + Dodecanoate (N-C12:0) > Adenosine monophosphate + PG(12:0/12:0) + PyrophosphateWater + PG(12:0/12:0) > 2-Acyl-sn-glycero-3-phosphoglycerol (n-C12:0) + Dodecanoate (N-C12:0) + Hydrogen ion2-Acyl-sn-glycero-3-phosphoglycerol (n-C12:0) + Water > Dodecanoate (N-C12:0) + Glycerophosphoglycerol + Hydrogen ion2-Acyl-sn-glycero-3-phosphoglycerol (n-C12:0) + PG(12:0/12:0) > Acyl phosphatidylglycerol (N-C12:0) + Glycerophosphoglycerol