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
logs
-1.42
solubility
9.41e+00 g/l
logp
-3.6
pka_strongest_acidic
1.74
pka_strongest_basic
5.55
iupac
{[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methoxy}phosphonic acid
average_mass
249.1577
mono_mass
249.040223633
smiles
CC1=NC=C(COP(O)(O)=O)C(CO)=C1O
formula
C8H12NO6P
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)
inchikey
WHOMFKWHIQZTHY-UHFFFAOYSA-N
polar_surface_area
120.11
refractivity
54.98
polarizability
21.73
rotatable_bond_count
4
acceptor_count
6
donor_count
4
physiological_charge
-2
formal_charge
0
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