RefMet Compound Details

MW structure	37725 (View MW Metabolite Database details)
RefMet name	Pyridoxine 5'-phosphate
Systematic name	{[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methoxy}phosphonic acid
SMILES	Cc1c(c(CO)c(cn1)COP(=O)(O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	249.040227 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C8H12NO6P	View other entries in RefMet with this formula
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	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Alkaloids
Main Class	Nicotinic acid alkaloids
Sub Class	Pyridine alkaloids
Pubchem CID	1055
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Pyridoxine 5''-phosphate

Rxn ID	KEGG Reaction	Enzyme
R01909	ATP + Pyridoxine <=> ADP + Pyridoxine phosphate	ATP:pyridoxine 5'-phosphotransferase
R00278	Pyridoxine phosphate + Oxygen <=> Hydrogen peroxide + Pyridoxal phosphate	pyridoxine 5-phosphate:oxygen oxidoreductase
R01911	Pyridoxine + Orthophosphate <=> Pyridoxine phosphate + H2O	pyridoxine-5'-phosphate phosphohydrolase

Table of KEGG human pathways containing Pyridoxine 5''-phosphate

Pathway ID	Human Pathway	# of reactions
hsa00750	Vitamin B6 metabolism	3