2.0 2012-05-31 13:46:14 -0600 2015-06-03 15:53:46 -0600 ECMDB01138 M2MDB000272 N-Acetyl-L-alanine N-Acetyl-L-alanine is a product that can be formed spontaneously by the reaction of pyruvate with ammonia. The enzyme phenylalanine N-acetyltransferase (EC 2.3.1.53) can also generate this molecule from Acetyl-CoA and Alanine. (S)-(-)-N-Acetylalanine (S)-N-Acetylalanine Acetyl-L-alanine Acetylalanine L-N-Acetylalanine N-Acetyl-(S)-alanine N-Acetyl-L-alanine N-Acetylalanine C5H9NO3 131.1299 131.058243159 (2S)-2-acetamidopropanoic acid N-acetylalanine 97-69-8 C[C@H](NC(C)=O)C(O)=O InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1 KTHDTJVBEPMMGL-VKHMYHEASA-N Solid Cytosol logp -0.53 ALOGPS logs -0.48 ALOGPS solubility 4.36e+01 g/l ALOGPS logp -0.76 ChemAxon pka_strongest_acidic 3.89 ChemAxon pka_strongest_basic -2 ChemAxon iupac (2S)-2-acetamidopropanoic acid ChemAxon average_mass 131.1299 ChemAxon mono_mass 131.058243159 ChemAxon smiles C[C@H](NC(C)=O)C(O)=O ChemAxon formula C5H9NO3 ChemAxon inchi InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1 ChemAxon inchikey KTHDTJVBEPMMGL-VKHMYHEASA-N ChemAxon polar_surface_area 66.4 ChemAxon refractivity 29.94 ChemAxon polarizability 12.5 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Arginine and proline metabolism ec00330 L-glutamate metabolism II PW001886 Metabolic Specdb::CMs 1010 Specdb::CMs 3316 Specdb::CMs 31226 Specdb::CMs 37753 Specdb::CMs 130680 Specdb::CMs 138414 Specdb::CMs 1074984 Specdb::CMs 1074985 Specdb::CMs 1074987 Specdb::NmrOneD 1270 Specdb::NmrOneD 1532 Specdb::NmrOneD 145270 Specdb::NmrOneD 145271 Specdb::NmrOneD 145272 Specdb::NmrOneD 145273 Specdb::NmrOneD 145274 Specdb::NmrOneD 145275 Specdb::NmrOneD 145276 Specdb::NmrOneD 145277 Specdb::NmrOneD 145278 Specdb::NmrOneD 145279 Specdb::NmrOneD 145280 Specdb::NmrOneD 145281 Specdb::NmrOneD 145282 Specdb::NmrOneD 145283 Specdb::NmrOneD 145284 Specdb::NmrOneD 145285 Specdb::NmrOneD 145286 Specdb::NmrOneD 145287 Specdb::NmrOneD 145288 Specdb::NmrOneD 145289 Specdb::NmrOneD 166455 Specdb::MsMs 1104 Specdb::MsMs 1105 Specdb::MsMs 1106 Specdb::MsMs 179901 Specdb::MsMs 179902 Specdb::MsMs 179903 Specdb::MsMs 182235 Specdb::MsMs 182236 Specdb::MsMs 182237 Specdb::MsMs 438686 Specdb::MsMs 2228756 Specdb::MsMs 2230707 Specdb::MsMs 2242194 Specdb::MsMs 2243651 Specdb::MsMs 2252466 Specdb::MsMs 2254037 Specdb::MsMs 2254476 Specdb::MsMs 2256076 Specdb::MsMs 2256435 Specdb::MsMs 2258175 Specdb::MsMs 2258453 Specdb::MsMs 2260109 Specdb::MsMs 2409208 Specdb::MsMs 2409209 Specdb::MsMs 2409210 Specdb::NmrTwoD 1039 Specdb::NmrTwoD 1478 HMDB00766 7345 79449 17533 AYA 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 Vanzura, Jiri; Kasafirek, Evzen; Hrabalek, Alexandr; Vinsova, Jarmila; Krepelka, Jiri. Process for preparing highly pure N-acetyl-L- or -D-alanine. Czech. (1989), 4 pp. Amino-acid acetyltransferase P0A6C5 ARGA_ECOLI argA http://ecmdb.ca/proteins/P0A6C5.xml Acetylglutamate kinase P0A6C8 ARGB_ECOLI argB http://ecmdb.ca/proteins/P0A6C8.xml Acetyl-CoA + L-Glutamate <> N-Acetyl-L-alanine + Coenzyme A + Hydrogen ion + N-Acetylglutamic acid R00259 N-Acetyl-L-alanine + Adenosine triphosphate + N-Acetylglutamic acid <> N-Acetyl-L-glutamyl 5-phosphate + ADP R02649 Acetyl-CoA + L-Glutamate <> Coenzyme A + N-Acetyl-L-alanine R00259 Adenosine triphosphate + N-Acetyl-L-alanine <> ADP + N-Acetyl-L-glutamyl 5-phosphate R02649 Acetyl-CoA + L-Glutamic acid + L-Glutamate <> N-Acetyl-L-alanine + Coenzyme A + Hydrogen ion + N-Acetylglutamic acid + N-Acetyl-L-alanine + N-Acetylglutamic acid PW_R005149 Acetyl-CoA + L-Glutamate <> N-Acetyl-L-alanine + Coenzyme A + Hydrogen ion + N-Acetylglutamic acid N-Acetyl-L-alanine + Adenosine triphosphate + N-Acetylglutamic acid <> N-Acetyl-L-glutamyl 5-phosphate + ADP