2.0 2012-05-31 14:30:09 -0600 2015-06-03 17:19:25 -0600 ECMDB20151 M2MDB000998 gamma-Glutamyl-beta-cyanoalanine Gamma-glutamyl-beta-cyanoalanine belongs to the class of Alpha Amino Acids and Derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). 2-amino-5-(1-Carboxy-2-cyanoethyl)amino-5-oxopentanoate 2-amino-5-(1-carboxy-2-cyanoethyl)amino-5-oxopentanoic acid g-Glutamyl-b-cyanoalanine γ-Glutamyl-β-cyanoalanine C9H13N3O5 243.2166 243.085520541 2-amino-4-[(1-carboxy-2-cyanoethyl)-C-hydroxycarbonimidoyl]butanoic acid gamma-glutamyl-β-cyanoalanine NC(CCC(O)=NC(CC#N)C(O)=O)C(O)=O InChI=1S/C9H13N3O5/c10-4-3-6(9(16)17)12-7(13)2-1-5(11)8(14)15/h5-6H,1-3,11H2,(H,12,13)(H,14,15)(H,16,17) QUAADUAOVLZBJM-UHFFFAOYSA-N Cytoplasm Periplasm logp -3.14 ALOGPS logs -1.49 ALOGPS solubility 7.96e+00 g/l ALOGPS logp -3.6 ChemAxon pka_strongest_acidic 1.36 ChemAxon pka_strongest_basic 9.54 ChemAxon iupac 2-amino-4-[(1-carboxy-2-cyanoethyl)-C-hydroxycarbonimidoyl]butanoic acid ChemAxon average_mass 243.2166 ChemAxon mono_mass 243.085520541 ChemAxon smiles NC(CCC(O)=NC(CC#N)C(O)=O)C(O)=O ChemAxon formula C9H13N3O5 ChemAxon inchi InChI=1S/C9H13N3O5/c10-4-3-6(9(16)17)12-7(13)2-1-5(11)8(14)15/h5-6H,1-3,11H2,(H,12,13)(H,14,15)(H,16,17) ChemAxon inchikey QUAADUAOVLZBJM-UHFFFAOYSA-N ChemAxon polar_surface_area 157 ChemAxon refractivity 54.12 ChemAxon polarizability 22.82 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 8 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Cyanoamino acid metabolism ec00460 L-glutamate metabolism II PW001886 Metabolic Specdb::CMs 1084049 Specdb::NmrOneD 316941 Specdb::NmrOneD 316942 Specdb::NmrOneD 316943 Specdb::NmrOneD 316944 Specdb::NmrOneD 316945 Specdb::NmrOneD 316946 Specdb::NmrOneD 316947 Specdb::NmrOneD 316948 Specdb::NmrOneD 316949 Specdb::NmrOneD 316950 Specdb::NmrOneD 316951 Specdb::NmrOneD 316952 Specdb::NmrOneD 316953 Specdb::NmrOneD 316954 Specdb::NmrOneD 316955 Specdb::NmrOneD 316956 Specdb::NmrOneD 316957 Specdb::NmrOneD 316958 Specdb::NmrOneD 316959 Specdb::NmrOneD 316960 Specdb::MsMs 24743 Specdb::MsMs 24744 Specdb::MsMs 24745 Specdb::MsMs 31301 Specdb::MsMs 31302 Specdb::MsMs 31303 440768 389637 C05711 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 Gamma-glutamyltranspeptidase P18956 GGT_ECOLI ggt http://ecmdb.ca/proteins/P18956.xml 3-Cyano-L-alanine + L-Glutamate <> gamma-Glutamyl-beta-cyanoalanine + Water R03970 L-Glutamate + 3-Cyano-L-alanine > Water + gamma-Glutamyl-beta-cyanoalanine PW_R005915