2.02012-07-30 14:54:41 -06002015-06-03 17:20:45 -0600ECMDB21152M2MDB0015612-Acyl-sn-glycero-3-phosphoglycerol (N-C18:1)2-acyl-sn-glycero-3-phosphoglycerol (n-c18:1) 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).C24H46O9P509.5904509.2879445821-[(2,3-dihydroxypropyl phosphonato)oxy]-3-hydroxypropan-2-yl (11E)-octadec-11-enoate1-[(2,3-dihydroxypropyl phosphonato)oxy]-3-hydroxypropan-2-yl (11E)-octadec-11-enoate[H]\C(CCCCCC)=C(\[H])CCCCCCCCCC(=O)OC(CO)COP([O-])(=O)OCC(O)COInChI=1S/C24H47O9P/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/h7-8,22-23,25-27H,2-6,9-21H2,1H3,(H,29,30)/p-1/b8-7+MQIOPFNXRQHRLN-BQYQJAHWSA-MCytosolMembranePeriplasmlogp4.33logs-5.26solubility2.91e-03 g/llogp4.54pka_strongest_acidic1.89pka_strongest_basic-3iupac1-[(2,3-dihydroxypropyl phosphonato)oxy]-3-hydroxypropan-2-yl (11E)-octadec-11-enoateaverage_mass509.5904mono_mass509.287944582smiles[H]\C(CCCCCC)=C(\[H])CCCCCCCCCC(=O)OC(CO)COP([O-])(=O)OCC(O)COformulaC24H46O9PinchiInChI=1S/C24H47O9P/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/h7-8,22-23,25-27H,2-6,9-21H2,1H3,(H,29,30)/p-1/b8-7+inchikeyMQIOPFNXRQHRLN-BQYQJAHWSA-Mpolar_surface_area145.58refractivity130.91polarizability57.22rotatable_bond_count25acceptor_count6donor_count3physiological_charge-1formal_charge-1Glycerophospholipid metabolismec00564phospholipid biosynthesis IPHOSLIPSYN-PWYSpecdb::NmrOneD305511Specdb::NmrOneD305512Specdb::NmrOneD305513Specdb::NmrOneD305514Specdb::NmrOneD305515Specdb::NmrOneD305516Specdb::NmrOneD305517Specdb::NmrOneD305518Specdb::NmrOneD305519Specdb::NmrOneD305520Specdb::NmrOneD305521Specdb::NmrOneD305522Specdb::NmrOneD305523Specdb::NmrOneD305524Specdb::NmrOneD305525Specdb::NmrOneD305526Specdb::NmrOneD305527Specdb::NmrOneD305528Specdb::NmrOneD305529Specdb::NmrOneD305530Specdb::MsMs28160Specdb::MsMs28161Specdb::MsMs28162Specdb::MsMs34718Specdb::MsMs34719Specdb::MsMs34720CPD0-2229Keseler, I. M., Collado-Vides, J., Santos-Zavaleta, A., Peralta-Gil, M., Gama-Castro, S., Muniz-Rascado, L., Bonavides-Martinez, C., Paley, S., Krummenacker, M., Altman, T., Kaipa, P., Spaulding, A., Pacheco, J., Latendresse, M., Fulcher, C., Sarker, M., Shearer, A. G., Mackie, A., Paulsen, I., Gunsalus, R. P., Karp, P. D. (2011). "EcoCyc: a comprehensive database of Escherichia coli biology." Nucleic Acids Res 39:D583-D590.21097882Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114.22080510Yurtsever 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-C18:1) + Adenosine triphosphate + Octadecenoate (N-C18:1) > Adenosine monophosphate + PG(18:1(11Z)/18:1(11Z)) + PyrophosphateWater + PG(18:1(11Z)/18:1(11Z)) > 2-Acyl-sn-glycero-3-phosphoglycerol (N-C18:1) + Hydrogen ion + Octadecenoate (N-C18:1)2-Acyl-sn-glycero-3-phosphoglycerol (N-C18:1) + Water > Glycerophosphoglycerol + Hydrogen ion + Octadecenoate (N-C18:1)2-Acyl-sn-glycero-3-phosphoglycerol (N-C18:1) + PG(18:1(11Z)/18:1(11Z)) > Acyl phosphatidylglycerol (N-C18:1) + Glycerophosphoglycerol