2.0 2012-05-31 14:33:41 -0600 2015-07-07 11:36:22 -0600 ECMDB20217 M2MDB001063 Ureidoglycine Ureidoglycine 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)[1]. (Reference: [1] Amino Acid: http://en.wikipedia.org/wiki/Amino_acid) 2-(Carbamoylamino)glycine 2-Ureidoglycine Amino(carbamoylamino)acetate Amino(carbamoylamino)acetic acid C3H7N3O3 133.106 133.048741105 2-amino-2-[(C-hydroxycarbonimidoyl)amino]acetic acid amino(C-hydroxycarbonimidoylamino)acetic acid NC(NC(O)=N)C(O)=O InChI=1S/C3H7N3O3/c4-1(2(7)8)6-3(5)9/h1H,4H2,(H,7,8)(H3,5,6,9) VTFWFHCECSOPSX-UHFFFAOYSA-N Cytoplasm Periplasm logp -3.38 ALOGPS logs -1.45 ALOGPS solubility 4.71e+00 g/l ALOGPS logp -3 ChemAxon pka_strongest_acidic 0.28 ChemAxon pka_strongest_basic 6.75 ChemAxon iupac 2-amino-2-[(C-hydroxycarbonimidoyl)amino]acetic acid ChemAxon average_mass 133.106 ChemAxon mono_mass 133.048741105 ChemAxon smiles NC(NC(O)=N)C(O)=O ChemAxon formula C3H7N3O3 ChemAxon inchi InChI=1S/C3H7N3O3/c4-1(2(7)8)6-3(5)9/h1H,4H2,(H,7,8)(H3,5,6,9) ChemAxon inchikey VTFWFHCECSOPSX-UHFFFAOYSA-N ChemAxon polar_surface_area 119.43 ChemAxon refractivity 37.92 ChemAxon polarizability 11.2 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Purine metabolism ec00230 Microbial metabolism in diverse environments ec01120 Specdb::CMs 1084306 Specdb::NmrOneD 298585 Specdb::NmrOneD 298586 Specdb::NmrOneD 298587 Specdb::NmrOneD 298588 Specdb::NmrOneD 298589 Specdb::NmrOneD 298590 Specdb::NmrOneD 298591 Specdb::NmrOneD 298592 Specdb::NmrOneD 298593 Specdb::NmrOneD 298594 Specdb::NmrOneD 298595 Specdb::NmrOneD 298596 Specdb::NmrOneD 298597 Specdb::NmrOneD 298598 Specdb::NmrOneD 298599 Specdb::NmrOneD 298600 Specdb::NmrOneD 298601 Specdb::NmrOneD 298602 Specdb::NmrOneD 298603 Specdb::NmrOneD 298604 Specdb::MsMs 25325 Specdb::MsMs 25326 Specdb::MsMs 25327 Specdb::MsMs 31883 Specdb::MsMs 31884 Specdb::MsMs 31885 439649 C02091 16282 CPD-598 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 Allantoate amidohydrolase P77425 ALLC_ECOLI allC http://ecmdb.ca/proteins/P77425.xml conserved protein P75713 ylbA http://ecmdb.ca/proteins/P75713.xml Allantoic acid + Water <> Ureidoglycine + Ammonia + Carbon dioxide R02423 Ureidoglycine + Water <> (S)-Ureidoglycolic acid + Ammonia R05554