RefMet Compound Details

MW structure	37824 (View MW Metabolite Database details)
RefMet name	Pyridoxal 5'-phosphate
Systematic name	[(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy]phosphonic acid
SMILES	Cc1c(c(C=O)c(cn1)COP(=O)(O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	247.024577 (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	C8H10NO6P	View other entries in RefMet with this formula
InChI	InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKey	NGVDGCNFYWLIFO-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	1051
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

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

Rxn ID	KEGG Reaction	Enzyme
R00278	Pyridoxine phosphate + Oxygen <=> Hydrogen peroxide + Pyridoxal phosphate	pyridoxine 5-phosphate:oxygen oxidoreductase
R00174	ATP + Pyridoxal <=> ADP + Pyridoxal phosphate	ATP:pyridoxal 5'-phosphotransferase
R00277	Pyridoxamine phosphate + H2O + Oxygen <=> Pyridoxal phosphate + Ammonia + Hydrogen peroxide	pyridoxamine-5'-phosphate:oxygen oxidoreductase (deaminating)
R00173	Pyridoxal phosphate + H2O <=> Pyridoxal + Orthophosphate	pyridoxal-5'-phosphate phosphohydrolase

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

Pathway ID	Human Pathway	# of reactions
hsa00750	Vitamin B6 metabolism	4