RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0136099
RefMet name	Pyridoxamine
Systematic name	4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
Synonyms	PubChem Synonyms
Exact mass	168.089878 (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	C8H12N2O2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37796 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3
InChIKey	NHZMQXZHNVQTQA-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	Cc1c(c(CN)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 Pyridoxamine 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 Pyridoxamine
External Links
Pubchem CID	1052
ChEBI ID	16410
KEGG ID	C00534
HMDB ID	HMDB0001431
Chemspider ID	1023
MetaCyc ID	PYRIDOXAMINE
EPA CompTox	DTXCID4026929
Spectral data for Pyridoxamine 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 Pyridoxamine

Rxn ID	KEGG Reaction	Enzyme
R01710	Pyridoxamine + H2O + Oxygen <=> Pyridoxal + Ammonia + Hydrogen peroxide	pyridoxamine:oxygen oxidoreductase (deaminating)
R02493	ATP + Pyridoxamine <=> ADP + Pyridoxamine phosphate	ATP:pyridoxal 5'-phosphotransferase
R02494	Pyridoxamine + Orthophosphate <=> Pyridoxamine phosphate + H2O	pyridoxamine-5'-phosphate phosphohydrolase

Table of KEGG human pathways containing Pyridoxamine

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