2.0 2012-05-31 14:52:27 -0600 2015-06-03 17:20:21 -0600 ECMDB20594 M2MDB001395 NMNH NMNH is a member of the chemical class known as Nicotinamide Nucleotides. These are pyridine nucleotides, in which the pyridine base is nicotinamide or a derivative thereof. Nicotinamide mononucleotide (reduced) C11H17N2O8P 336.235 336.072252042 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1,4-dihydropyridine-3-carboximidic acid 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-4H-pyridine-3-carboximidic acid [H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=CCC(=C2)C(O)=N)[C@]([H])(O)[C@]1([H])O InChI=1S/C11H17N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1,3-4,7-9,11,14-15H,2,5H2,(H2,12,16)(H2,17,18,19)/t7-,8-,9-,11-/m1/s1 XQHMUSRSLNRVGA-TURQNECASA-N Cytoplasm Periplasm logp -1.69 ALOGPS logs -1.61 ALOGPS solubility 8.27e+00 g/l ALOGPS logp -2.8 ChemAxon pka_strongest_acidic 1.21 ChemAxon pka_strongest_basic 8.15 ChemAxon iupac 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1,4-dihydropyridine-3-carboximidic acid ChemAxon average_mass 336.235 ChemAxon mono_mass 336.072252042 ChemAxon smiles [H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=CCC(=C2)C(O)=N)[C@]([H])(O)[C@]1([H])O ChemAxon formula C11H17N2O8P ChemAxon inchi InChI=1S/C11H17N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1,3-4,7-9,11,14-15H,2,5H2,(H2,12,16)(H2,17,18,19)/t7-,8-,9-,11-/m1/s1 ChemAxon inchikey XQHMUSRSLNRVGA-TURQNECASA-N ChemAxon polar_surface_area 163.77 ChemAxon refractivity 83.65 ChemAxon polarizability 29.54 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 9 ChemAxon donor_count 6 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1084452 Specdb::NmrOneD 275758 Specdb::NmrOneD 275759 Specdb::NmrOneD 275760 Specdb::NmrOneD 275761 Specdb::NmrOneD 275762 Specdb::NmrOneD 275763 Specdb::NmrOneD 275764 Specdb::NmrOneD 275765 Specdb::NmrOneD 275766 Specdb::NmrOneD 275767 Specdb::NmrOneD 275768 Specdb::NmrOneD 275769 Specdb::NmrOneD 275770 Specdb::NmrOneD 275771 Specdb::NmrOneD 275772 Specdb::NmrOneD 275773 Specdb::NmrOneD 275774 Specdb::NmrOneD 275775 Specdb::NmrOneD 275776 Specdb::NmrOneD 275777 Specdb::MsMs 26570 Specdb::MsMs 26571 Specdb::MsMs 26572 Specdb::MsMs 33128 Specdb::MsMs 33129 Specdb::MsMs 33130 25246098 8149841 NMNH 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 NADH pyrophosphatase P32664 NUDC_ECOLI nudC http://ecmdb.ca/proteins/P32664.xml NADH + Water > Hydrogen ion + NMNH + Adenosine monophosphate RXN0-4401