RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0156792
RefMet name	Pyridoxine
Systematic name	4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol
Synonyms	PubChem Synonyms
Exact mass	169.073894 (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	C8H11NO3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37154 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3
InChIKey	LXNHXLLTXMVWPM-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	Cc1c(c(CO)c(cn1)CO)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Alkaloids
Main Class	Pyridine alkaloids
Sub Class	Nicotinic acid alkaloids
Distribution of Pyridoxine in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Pyridoxine
External Links
Pubchem CID	1054
ChEBI ID	16709
KEGG ID	C00314
HMDB ID	HMDB0000239
Chemspider ID	1025
MetaCyc ID	PYRIDOXINE
EPA CompTox	DTXCID903541
Spectral data for Pyridoxine standards
BMRB ID(NMR)	View NMR spectra
NP-MRD ID(NMR)	View NMR spectra
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Pyridoxine

Rxn ID	KEGG Reaction	Enzyme
R01708	Pyridoxine + NADP+ <=> Pyridoxal + NADPH + H+	Pyridoxine:NADP+ 4-oxidoreductase
R01711	Pyridoxine + Oxygen <=> Pyridoxal + Hydrogen peroxide	pyridoxine:oxygen oxidoreductase (deaminating)
R01909	ATP + Pyridoxine <=> ADP + Pyridoxine phosphate	ATP:pyridoxine 5'-phosphotransferase
R01911	Pyridoxine + Orthophosphate <=> Pyridoxine phosphate + H2O	pyridoxine-5'-phosphate phosphohydrolase

Table of KEGG human pathways containing Pyridoxine

Pathway ID	Human Pathway	# of reactions
hsa00750	Vitamin B6 metabolism	3
hsa00760	Nicotinate and nicotinamide metabolism	1
hsa01100	Metabolic pathways	1