2.0 2012-05-31 14:47:00 -0600 2015-06-03 17:20:05 -0600 ECMDB20481 M2MDB001297 L-Alanyl-L-Glutamate L-ala-L-glu is a member of the chemical class known as Hybrid Peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta). Ala-glu L-Alanine-L-glutamate L-Alanine-L-glutamic acid L-Alanyl-L-Glutamic acid C8H13N2O5 217.1992 217.082446536 2-[(2-amino-1-hydroxypropylidene)amino]pentanedioic acid 2-[(2-amino-1-hydroxypropylidene)amino]pentanedioic acid CC(N)C(O)=NC(CCC([O-])=O)C(O)=O InChI=1S/C8H14N2O5/c1-4(9)7(13)10-5(8(14)15)2-3-6(11)12/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15)/p-1 VYZAGTDAHUIRQA-UHFFFAOYSA-M Cytosol Extra-organism Periplasm logp -3.36 ALOGPS logs -1.57 ALOGPS solubility 5.93e+00 g/l ALOGPS logp -3.2 ChemAxon pka_strongest_acidic 3.13 ChemAxon pka_strongest_basic 9.57 ChemAxon iupac 2-[(2-amino-1-hydroxypropylidene)amino]pentanedioic acid ChemAxon average_mass 217.1992 ChemAxon mono_mass 217.082446536 ChemAxon smiles CC(N)C(O)=NC(CCC([O-])=O)C(O)=O ChemAxon formula C8H13N2O5 ChemAxon inchi InChI=1S/C8H14N2O5/c1-4(9)7(13)10-5(8(14)15)2-3-6(11)12/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15)/p-1 ChemAxon inchikey VYZAGTDAHUIRQA-UHFFFAOYSA-M ChemAxon polar_surface_area 133.21 ChemAxon refractivity 49.11 ChemAxon polarizability 20.56 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1312432 Specdb::MsMs 1312433 Specdb::MsMs 1312434 Specdb::MsMs 1426900 Specdb::MsMs 1426901 Specdb::MsMs 1426902 25203511 13211968 CPD0-1445 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 L-Ala-D/L-Glu epimerase P51981 AEEP_ECOLI ycjG http://ecmdb.ca/proteins/P51981.xml L-Ala-gamma-D-Glu L-Alanyl-L-Glutamate RXN0-5228 L-Alanyl-L-Glutamate + Water > L-Alanine + L-Glutamate RXN0-6981 L-Alanyl-D-glutamate > L-Alanyl-L-Glutamate