2.0 2012-07-30 14:54:39 -0600 2015-06-03 17:20:41 -0600 ECMDB21126 M2MDB001535 1-Acyl-sn-glycero-3-phosphoglycerol (N-C18:1) 1-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). (inferred from compound structure) C24H46O9P 509.5904 509.287944582 3-[(2,3-dihydroxypropyl phosphonato)oxy]-2-hydroxypropyl (9E)-octadec-9-enoate 3-[(2,3-dihydroxypropyl phosphonato)oxy]-2-hydroxypropyl (9E)-octadec-9-enoate [H]\C(CCCCCCCC)=C(\[H])CCCCCCCC(=O)OCC(O)COP([O-])(=O)OCC(O)CO InChI=1S/C24H47O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)31-19-23(27)21-33-34(29,30)32-20-22(26)18-25/h9-10,22-23,25-27H,2-8,11-21H2,1H3,(H,29,30)/p-1/b10-9+ FQQQKGAFQIIGLQ-MDZDMXLPSA-M Membrane Periplasm logp 4.30 ALOGPS logs -5.29 ALOGPS solubility 2.70e-03 g/l ALOGPS logp 4.54 ChemAxon pka_strongest_acidic 1.89 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3-[(2,3-dihydroxypropyl phosphonato)oxy]-2-hydroxypropyl (9E)-octadec-9-enoate ChemAxon average_mass 509.5904 ChemAxon mono_mass 509.287944582 ChemAxon smiles [H]\C(CCCCCCCC)=C(\[H])CCCCCCCC(=O)OCC(O)COP([O-])(=O)OCC(O)CO ChemAxon formula C24H46O9P ChemAxon inchi InChI=1S/C24H47O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)31-19-23(27)21-33-34(29,30)32-20-22(26)18-25/h9-10,22-23,25-27H,2-8,11-21H2,1H3,(H,29,30)/p-1/b10-9+ ChemAxon inchikey FQQQKGAFQIIGLQ-MDZDMXLPSA-M ChemAxon polar_surface_area 145.58 ChemAxon refractivity 130.91 ChemAxon polarizability 56.9 ChemAxon rotatable_bond_count 25 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge -1 ChemAxon Glycerophospholipid metabolism ec00564 phospholipid biosynthesis I PHOSLIPSYN-PWY Specdb::NmrOneD 310351 Specdb::NmrOneD 310352 Specdb::NmrOneD 310353 Specdb::NmrOneD 310354 Specdb::NmrOneD 310355 Specdb::NmrOneD 310356 Specdb::NmrOneD 310357 Specdb::NmrOneD 310358 Specdb::NmrOneD 310359 Specdb::NmrOneD 310360 Specdb::NmrOneD 310361 Specdb::NmrOneD 310362 Specdb::NmrOneD 310363 Specdb::NmrOneD 310364 Specdb::NmrOneD 310365 Specdb::NmrOneD 310366 Specdb::NmrOneD 310367 Specdb::NmrOneD 310368 Specdb::NmrOneD 310369 Specdb::NmrOneD 310370 Specdb::MsMs 29447 Specdb::MsMs 29448 Specdb::MsMs 29449 Specdb::MsMs 36005 Specdb::MsMs 36006 Specdb::MsMs 36007 CPD0-2145 Keseler, 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. 21097882 Kanehisa, 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. 22080510 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 Phospholipase A1 P0A921 PA1_ECOLI pldA http://ecmdb.ca/proteins/P0A921.xml Acyl-CoA thioesterase I P0ADA1 TESA_ECOLI tesA http://ecmdb.ca/proteins/P0ADA1.xml 1-Acyl-sn-glycero-3-phosphoglycerol (N-C18:1) + Water > Glycerophosphoglycerol + Hydrogen ion + Octadecenoate (N-C18:1) Water + PG(18:1(11Z)/18:1(11Z)) > 1-Acyl-sn-glycero-3-phosphoglycerol (N-C18:1) + Hydrogen ion + Octadecenoate (N-C18:1)