2.02015-06-04 18:21:01 -06002015-09-14 16:46:23 -0600ECMDB23835M2MDB004741N-AcetylphosphinothricinN-Acetylphosphinothricin is an intermediate in phosphonate and phosphinate metabolism in E.coli, where the enzyme acetyl-CoA:phosphinothricin N-acetyltransferase catalyzes the reaction acetyl-CoA + phosphinothricin <=> CoA + N-acetylphosphinothricin (KEGG compound: C17952).L-N-AcetylphosphinothricinN-Acetyl-L-glufosinateN-Acetyl-L-glufosinic acidN-AcetylphinothricinC7H14NO5P223.165223.060959553(2S)-2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid(2S)-2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acidCC(=O)N[C@@H](CCP(C)(O)=O)C(O)=OInChI=1S/C7H14NO5P/c1-5(9)8-6(7(10)11)3-4-14(2,12)13/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)(H,12,13)/t6-/m0/s1VZVQOWUYAAWBCP-LURJTMIESA-Nlogp-1.57logs-1.19solubility1.44e+01 g/llogp-2.2pka_strongest_acidic2.01pka_strongest_basic-1.8iupac(2S)-2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acidaverage_mass223.165mono_mass223.060959553smilesCC(=O)N[C@@H](CCP(C)(O)=O)C(O)=OformulaC7H14NO5PinchiInChI=1S/C7H14NO5P/c1-5(9)8-6(7(10)11)3-4-14(2,12)13/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)(H,12,13)/t6-/m0/s1inchikeyVZVQOWUYAAWBCP-LURJTMIESA-Npolar_surface_area103.7refractivity49.1polarizability20.02rotatable_bond_count5acceptor_count5donor_count3physiological_charge-2formal_charge0Phosphonate and phosphinate metabolismec00440Specdb::CMs1087386Specdb::NmrOneD255288Specdb::NmrOneD255289Specdb::NmrOneD255290Specdb::NmrOneD255291Specdb::NmrOneD255292Specdb::NmrOneD255293Specdb::NmrOneD255294Specdb::NmrOneD255295Specdb::NmrOneD255296Specdb::NmrOneD255297Specdb::NmrOneD255298Specdb::NmrOneD255299Specdb::NmrOneD255300Specdb::NmrOneD255301Specdb::NmrOneD255302Specdb::NmrOneD255303Specdb::NmrOneD255304Specdb::NmrOneD255305Specdb::NmrOneD255306Specdb::NmrOneD255307Specdb::MsMs28478Specdb::MsMs28479Specdb::MsMs28480Specdb::MsMs35036Specdb::MsMs35037Specdb::MsMs35038C17952predicted acyltransferase with acyl-CoA N-acyltransferase domainP76112yncAhttp://ecmdb.ca/proteins/P76112.xmlAcetyl-CoA + + Glufosinate <> Coenzyme A + N-Acetylphosphinothricin + N-AcetylphosphinothricinR08938