RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0042526
RefMet name	Histamine
Systematic name	2-(1H-imidazol-4-yl)ethan-1-amine
Synonyms	PubChem Synonyms
Exact mass	111.079647 (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	C5H9N3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37476 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
InChIKey	NTYJJOPFIAHURM-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(CN)c1c[nH]cn1 Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Alkaloids
Main Class	Histidine alkaloids
Sub Class	Imidazole alkaloids
Distribution of Histamine 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 Histamine
External Links
Pubchem CID	774
ChEBI ID	18295
KEGG ID	C00388
HMDB ID	HMDB0000870
Chemspider ID	753
MetaCyc ID	HISTAMINE
EPA CompTox	DTXCID103125
PhytoHub DB	PHUB000777
Spectral data for Histamine 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 Histamine

Rxn ID	KEGG Reaction	Enzyme
R01167	L-Histidine <=> Histamine + CO2	L-histidine carboxy-lyase (histamine-forming)
R02150	Histamine + Oxygen + H2O <=> Imidazole-4-acetaldehyde + Ammonia + Hydrogen peroxide	1H-Imidazole-4-ethanamine:oxygen oxidoreductase (deaminating) (copper-containing)
R02155	S-Adenosyl-L-methionine + Histamine <=> S-Adenosyl-L-homocysteine + N-Methylhistamine	S-Adenosyl-L-methionine:histamine N-tele-methyltransferase

Table of KEGG human pathways containing Histamine

Pathway ID	Human Pathway	# of reactions
hsa00340	Histidine metabolism	3