2.0 2012-10-10 12:13:48 -0600 2015-09-13 12:56:17 -0600 ECMDB23042 M2MDB003432 N-Acetyl-L-methionine N-Acetyl-L-methionine is an acylated methionine derivative. The N-terminal methionine is often released from peptides and proteins in E. coli via methionine aminopeptidase. The free methionine can be acetylated by the enzyme YncA or N acyltransferase in a reaction using a CoA thioester as cofactor. (2S)-2-acetamido-4-Methylsulfanylbutanoate (2S)-2-acetamido-4-methylsulfanylbutanoic acid (2S)-2-acetamido-4-Methylsulphanylbutanoate (2S)-2-acetamido-4-Methylsulphanylbutanoic acid Acetyl-l-methionine Acetylmethionin Acetylmethionine DL-n-acetylmethionine L-(n-acetyl)methionine L-n-acetyl-Methionine Methionamine Methionin N-acetyl(methyl)homocysteine N-acetyl-Methionine N-acetyl-S-methylhomocysteine N-acetylmethionine Thiomedon C7H13NO3S 191.248 191.061613977 2-acetamido-4-(methylsulfanyl)butanoic acid L-methionine, N-acetyl- 65-82-7 [H][C@@](CCSC)(NC(C)=O)C(O)=O InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1 XUYPXLNMDZIRQH-LURJTMIESA-N Solid logp -0.15 ALOGPS logs -1.45 ALOGPS solubility 6.84e+00 g/l ALOGPS melting_point 105.5 C logp -0.11 ChemAxon pka_strongest_acidic 4.02 ChemAxon pka_strongest_basic -1.8 ChemAxon iupac 2-acetamido-4-(methylsulfanyl)butanoic acid ChemAxon average_mass 191.248 ChemAxon mono_mass 191.061613977 ChemAxon smiles [H][C@@](CCSC)(NC(C)=O)C(O)=O ChemAxon formula C7H13NO3S ChemAxon inchi InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1 ChemAxon inchikey XUYPXLNMDZIRQH-LURJTMIESA-N ChemAxon polar_surface_area 66.4 ChemAxon refractivity 47.03 ChemAxon polarizability 19.59 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14813 Specdb::CMs 39793 Specdb::CMs 102717 Specdb::CMs 102718 Specdb::NmrOneD 2056 Specdb::MsMs 2499 Specdb::MsMs 2500 Specdb::MsMs 2501 Specdb::MsMs 298720 Specdb::MsMs 298721 Specdb::MsMs 298722 Specdb::MsMs 340561 Specdb::MsMs 340562 Specdb::MsMs 340563 Specdb::MsMs 440096 Specdb::MsMs 451925 Specdb::NmrTwoD 1989 HMDB11745 448580 C02712 AME FDB001089 http://hmdb.ca/system/metabolites/msds/000/010/470/original/HMDB11745.pdf?1358463266 predicted acyltransferase with acyl-CoA N-acyltransferase domain P76112 yncA http://ecmdb.ca/proteins/P76112.xml Acetyl-CoA + L-Methionine > CoA + N-Acetyl-L-methionine