2.0 2012-05-31 13:49:55 -0600 2015-06-03 15:53:56 -0600 ECMDB01319 M2MDB000338 Pyridoxine 5'-phosphate Pyridoxine 5'-phosphate is a substrate for Pyridoxine-5'-phosphate oxidase and Pyridoxal kinase. 5-Hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridylmethyl dihydrogen phosphate 5-Hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridylmethyl dihydrogen phosphoric acid 5-Hydroxy-6-methyl-3,4-pyridinedimethanol a( 3)-(dihydrogen phosphate) 5-Hydroxy-6-methyl-3,4-pyridinedimethanol a( 3)-(dihydrogen phosphoric acid) 5-Hydroxy-6-methyl-3,4-Pyridinedimethanol alpha( 3)-(dihydrogen phosphate) 5-Hydroxy-6-methyl-3,4-pyridinedimethanol alpha( 3)-(dihydrogen phosphoric acid) 5-Hydroxy-6-methyl-3,4-pyridinedimethanol α( 3)-(dihydrogen phosphate) 5-Hydroxy-6-methyl-3,4-pyridinedimethanol α( 3)-(dihydrogen phosphoric acid) Pyn5'P Pyridoxine 5'-phosphate Pyridoxine 5'-phosphoric acid Pyridoxine 5-phosphate Pyridoxine 5-phosphoric acid Pyridoxine-5'-phosphate Pyridoxine-5'-phosphoric acid Pyridoxine-5-phosphate Pyridoxine-5-phosphoric acid Pyridoxine-5P Pyridoxine-P Pyridoxine-phosphate Pyridoxine-phosphoric acid Pyridoxol 5-phosphate Pyridoxol 5-phosphoric acid Pyridoxol-5'-phosphate Pyridoxol-5'-phosphoric acid Pyridoxyl-5-phosphate Pyridoxyl-5-phosphoric acid [5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl phosphate [5-Hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl phosphoric acid C8H12NO6P 249.1577 249.040223633 {[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methoxy}phosphonic acid pyridoxine-5'-phosphate 447-05-2 CC1=NC=C(COP(O)(O)=O)C(CO)=C1O InChI=1S/C8H12NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2,10-11H,3-4H2,1H3,(H2,12,13,14) WHOMFKWHIQZTHY-UHFFFAOYSA-N Solid Cytosol logp -0.80 ALOGPS logs -1.42 ALOGPS solubility 9.41e+00 g/l ALOGPS logp -3.6 ChemAxon pka_strongest_acidic 1.74 ChemAxon pka_strongest_basic 5.55 ChemAxon iupac {[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methoxy}phosphonic acid ChemAxon average_mass 249.1577 ChemAxon mono_mass 249.040223633 ChemAxon smiles CC1=NC=C(COP(O)(O)=O)C(CO)=C1O ChemAxon formula C8H12NO6P ChemAxon inchi InChI=1S/C8H12NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2,10-11H,3-4H2,1H3,(H2,12,13,14) ChemAxon inchikey WHOMFKWHIQZTHY-UHFFFAOYSA-N ChemAxon polar_surface_area 120.11 ChemAxon refractivity 54.98 ChemAxon polarizability 21.73 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Vitamin B6 metabolism ec00750 Microbial metabolism in diverse environments ec01120 Metabolic pathways eco01100 Vitamin B6 1430936196 PW000891 Metabolic pyridoxal 5'-phosphate salvage pathway PLPSAL-PWY pyridoxal 5'-phosphate biosynthesis I PYRIDOXSYN-PWY Specdb::CMs 2400 Specdb::CMs 38021 Specdb::CMs 134669 Specdb::CMs 142403 Specdb::NmrOneD 147350 Specdb::NmrOneD 147351 Specdb::NmrOneD 147352 Specdb::NmrOneD 147353 Specdb::NmrOneD 147354 Specdb::NmrOneD 147355 Specdb::NmrOneD 147356 Specdb::NmrOneD 147357 Specdb::NmrOneD 147358 Specdb::NmrOneD 147359 Specdb::NmrOneD 147360 Specdb::NmrOneD 147361 Specdb::NmrOneD 147362 Specdb::NmrOneD 147363 Specdb::NmrOneD 147364 Specdb::NmrOneD 147365 Specdb::NmrOneD 147366 Specdb::NmrOneD 147367 Specdb::NmrOneD 147368 Specdb::NmrOneD 147369 Specdb::MsMs 24455 Specdb::MsMs 24456 Specdb::MsMs 24457 Specdb::MsMs 31013 Specdb::MsMs 31014 Specdb::MsMs 31015 Specdb::MsMs 2749726 Specdb::MsMs 2749727 Specdb::MsMs 2749728 Specdb::MsMs 2928751 Specdb::MsMs 2928752 Specdb::MsMs 2928753 HMDB01319 1055 1026 C00627 PYRIDOXINE-5P PXP 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 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 van der Werf, M. J., Overkamp, K. M., Muilwijk, B., Coulier, L., Hankemeier, T. (2007). "Microbial metabolomics: toward a platform with full metabolome coverage." Anal Biochem 370:17-25. 17765195 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 Argoudelis, Chris J. Preparation of crystalline pyridoxine 5'-phosphate and some of its properties. Journal of Agricultural and Food Chemistry (1986), 34(6), 995-8. Pyridoxine 5'-phosphate synthase P0A794 PDXJ_ECOLI pdxJ http://ecmdb.ca/proteins/P0A794.xml 4-hydroxythreonine-4-phosphate dehydrogenase P19624 PDXA_ECOLI pdxA http://ecmdb.ca/proteins/P19624.xml Phosphatase ybhA P21829 YBHA_ECOLI ybhA http://ecmdb.ca/proteins/P21829.xml Pyridoxine kinase P40191 PDXK_ECOLI pdxK http://ecmdb.ca/proteins/P40191.xml Pyridoxamine kinase P77150 PDXY_ECOLI pdxY http://ecmdb.ca/proteins/P77150.xml Pyridoxine/pyridoxamine 5'-phosphate oxidase P0AFI7 PDXH_ECOLI pdxH http://ecmdb.ca/proteins/P0AFI7.xml 1-Deoxy-D-xylulose 5-phosphate + NAD + O-Phospho-4-hydroxy-L-threonine > Carbon dioxide + Hydrogen ion +2 Water + NADH + Pyridoxine 5'-phosphate + Phosphate Water + Pyridoxine 5'-phosphate > Phosphate + Pyridoxine Oxygen + Pyridoxine 5'-phosphate > Hydrogen peroxide + Pyridoxal 5'-phosphate R00278 PNPOXI-RXN Adenosine triphosphate + Pyridoxine > ADP + Hydrogen ion + Pyridoxine 5'-phosphate R01909 PNKIN-RXN Pyridoxine 5'-phosphate + Oxygen <> Hydrogen peroxide + Pyridoxal 5'-phosphate R00278 Adenosine triphosphate + Pyridoxine <> ADP + Pyridoxine 5'-phosphate R01909 3-Amino-2-oxopropyl phosphate + 1-Deoxy-D-xylulose 5-phosphate + 3-Amino-2-oxopropyl phosphate <> Pyridoxine 5'-phosphate + Phosphate +2 Water R05838 1-Amino-propan-2-one-3-phosphate + 1-Deoxy-D-xylulose 5-phosphate > Hydrogen ion + Pyridoxine 5'-phosphate + Phosphate + Water PDXJ-RXN 1-Deoxy-D-xylulose 5-phosphate + 2-Amino-3-phosphonopropionic acid > Pyridoxine 5'-phosphate + Inorganic phosphate +2 Water Pyridoxamine 5'-phosphate + Water + Oxygen + Pyridoxine 5'-phosphate <> Pyridoxal 5'-phosphate + Ammonia + Hydrogen peroxide R00277 1-Deoxy-D-xylulose 5-phosphate + 2-Amino-3-phosphonopropionic acid + 1-Deoxy-D-xylulose 5-phosphate + 2-Amino-3-phosphonopropionic acid > Pyridoxine 5'-phosphate + Phosphate + Hydrogen ion +2 Water PW_R003329 Pyridoxine + Adenosine triphosphate > Pyridoxine 5'-phosphate + Adenosine diphosphate + Hydrogen ion + ADP PW_R003331 3 3-Amino-2-oxopropyl phosphate + 1-Deoxy-D-xylulose 5-phosphate <> Pyridoxine 5'-phosphate + Phosphate +2 Water Oxygen + Pyridoxine 5'-phosphate > Hydrogen peroxide + Pyridoxal 5'-phosphate Oxygen + Pyridoxine 5'-phosphate > Hydrogen peroxide + Pyridoxal 5'-phosphate