2.0 2012-05-31 14:34:37 -0600 2015-06-03 17:19:36 -0600 ECMDB20237 M2MDB001080 5-Methylaminomethyl-2-selenouridine 5-methylaminomethyl-2-selenouridine is a member of the chemical class known as Pyrimidine Nucleosides and Analogues. These are compounds comprising a pyrimidine base attached to a sugar. 5-methylaminomethyl-2-selenouridine is invovled in Selenouridine biosynthesis (tRNA). 5-((Methylamino)methyl)-2-seleno-Uridine 5-((Methylamino)methyl)-2-selenouridine 5-Mamsu Mnm(5)se(2)U C11H17N3O5Se 350.23 351.033342497 1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-5-[(methylamino)methyl]-1,2-dihydropyrimidine-2-selone 1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-5-[(methylamino)methyl]pyrimidine-2-selone 89314-80-7 [H][C@@]1(CO)O[C@]([H])(N2C=C(CNC)C(O)=NC2=[Se])[C@@]([H])(O)[C@@]1([H])O InChI=1S/C11H17N3O5Se/c1-12-2-5-3-14(11(20)13-9(5)18)10-8(17)7(16)6(4-15)19-10/h3,6-8,10,12,15-17H,2,4H2,1H3,(H,13,18,20)/t6-,7-,8-,10-/m0/s1 LKYNRXHIWDCZMH-GHCJXIJMSA-N Cytoplasm Periplasm logp -1.81 ALOGPS logs -0.38 ALOGPS solubility 1.46e+02 g/l ALOGPS logp -2.8 ChemAxon pka_strongest_acidic 7.37 ChemAxon pka_strongest_basic 9.2 ChemAxon iupac 1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-5-[(methylamino)methyl]-1,2-dihydropyrimidine-2-selone ChemAxon average_mass 350.23 ChemAxon mono_mass 351.033342497 ChemAxon smiles [H][C@@]1(CO)O[C@]([H])(N2C=C(CNC)C(O)=NC2=[Se])[C@@]([H])(O)[C@@]1([H])O ChemAxon formula C11H17N3O5Se ChemAxon inchi InChI=1S/C11H17N3O5Se/c1-12-2-5-3-14(11(20)13-9(5)18)10-8(17)7(16)6(4-15)19-10/h3,6-8,10,12,15-17H,2,4H2,1H3,(H,13,18,20)/t6-,7-,8-,10-/m0/s1 ChemAxon inchikey LKYNRXHIWDCZMH-GHCJXIJMSA-N ChemAxon polar_surface_area 117.78 ChemAxon refractivity 77.72 ChemAxon polarizability 28.74 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1087077 Specdb::EiMs 3552 Specdb::NmrOneD 290975 Specdb::NmrOneD 290976 Specdb::NmrOneD 290977 Specdb::NmrOneD 290978 Specdb::NmrOneD 290979 Specdb::NmrOneD 290980 Specdb::NmrOneD 290981 Specdb::NmrOneD 290982 Specdb::NmrOneD 290983 Specdb::NmrOneD 290984 Specdb::NmrOneD 290985 Specdb::NmrOneD 290986 Specdb::NmrOneD 290987 Specdb::NmrOneD 290988 Specdb::NmrOneD 290989 Specdb::NmrOneD 290990 Specdb::NmrOneD 290991 Specdb::NmrOneD 290992 Specdb::NmrOneD 290993 Specdb::NmrOneD 290994 Specdb::MsMs 24104 Specdb::MsMs 24105 Specdb::MsMs 24106 Specdb::MsMs 30902 Specdb::MsMs 30903 Specdb::MsMs 30904 6336326 4891617 5-METHYLAMINOMETHYL-2-SELENOURIDINE 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 Winder, C. L., Dunn, W. B., Schuler, S., Broadhurst, D., Jarvis, R., Stephens, G. M., Goodacre, R. (2008). "Global metabolic profiling of Escherichia coli cultures: an evaluation of methods for quenching and extraction of intracellular metabolites." Anal Chem 80:2939-2948. 18331064 tRNA 2-selenouridine synthase P33667 SELU_ECOLI selU http://ecmdb.ca/proteins/P33667.xml 5-Methylaminomethyl-2-thiouridine + Phosphoroselenoic acid > 5-Methylaminomethyl-2-selenouridine + Inorganic phosphate