2.0 2012-05-31 14:30:06 -0600 2015-06-03 17:19:24 -0600 ECMDB20150 M2MDB000997 gamma-Glutamyl-beta-aminopropiononitrile Gamma-glutamyl-beta-aminopropiononitrile is a member of the chemical class known as 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) g-Glutamyl-3-aminopropiononitrile g-Glutamyl-b-aminopropiononitrile Gamma-Glutamyl-3-aminopropiononitrile γ-Glutamyl-3-aminopropiononitrile γ-Glutamyl-β-aminopropiononitrile C8H13N3O3 199.2071 199.095691297 (2S)-2-amino-4-[(2-cyanoethyl)-C-hydroxycarbonimidoyl]butanoic acid (2S)-2-amino-4-[(2-cyanoethyl)-C-hydroxycarbonimidoyl]butanoic acid [H][C@](N)(CCC(O)=NCCC#N)C(O)=O InChI=1S/C8H13N3O3/c9-4-1-5-11-7(12)3-2-6(10)8(13)14/h6H,1-3,5,10H2,(H,11,12)(H,13,14)/t6-/m0/s1 VQPVVWAFTIFKDD-LURJTMIESA-N Cytoplasm Periplasm logp -2.44 ALOGPS logs -1.47 ALOGPS solubility 6.80e+00 g/l ALOGPS logp -3.2 ChemAxon pka_strongest_acidic 1.5 ChemAxon pka_strongest_basic 9.54 ChemAxon iupac (2S)-2-amino-4-[(2-cyanoethyl)-C-hydroxycarbonimidoyl]butanoic acid ChemAxon average_mass 199.2071 ChemAxon mono_mass 199.095691297 ChemAxon smiles [H][C@](N)(CCC(O)=NCCC#N)C(O)=O ChemAxon formula C8H13N3O3 ChemAxon inchi InChI=1S/C8H13N3O3/c9-4-1-5-11-7(12)3-2-6(10)8(13)14/h6H,1-3,5,10H2,(H,11,12)(H,13,14)/t6-/m0/s1 ChemAxon inchikey VQPVVWAFTIFKDD-LURJTMIESA-N ChemAxon polar_surface_area 119.7 ChemAxon refractivity 48.29 ChemAxon polarizability 20.08 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Cyanoamino acid metabolism ec00460 Specdb::CMs 36654 Specdb::CMs 48238 Specdb::CMs 159279 Specdb::NmrOneD 59052 Specdb::NmrOneD 59053 Specdb::NmrOneD 59054 Specdb::NmrOneD 59055 Specdb::NmrOneD 59056 Specdb::NmrOneD 59057 Specdb::NmrOneD 59058 Specdb::NmrOneD 59059 Specdb::NmrOneD 59060 Specdb::NmrOneD 59061 Specdb::NmrOneD 59062 Specdb::NmrOneD 59063 Specdb::NmrOneD 59064 Specdb::NmrOneD 59065 Specdb::NmrOneD 59066 Specdb::NmrOneD 59067 Specdb::NmrOneD 59068 Specdb::NmrOneD 59069 Specdb::NmrOneD 59070 Specdb::NmrOneD 59071 Specdb::MsMs 24923 Specdb::MsMs 24924 Specdb::MsMs 24925 Specdb::MsMs 31481 Specdb::MsMs 31482 Specdb::MsMs 31483 Specdb::MsMs 3225592 Specdb::MsMs 3225593 Specdb::MsMs 3225594 Specdb::MsMs 3225595 Specdb::MsMs 3225596 Specdb::MsMs 3225597 440920 389750 C06114 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 beta-Aminopropionitrile + L-Glutamate <> gamma-Glutamyl-beta-aminopropiononitrile + Water R03971