RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0040238
RefMet name	Ethanolamine
Systematic name	2-aminoethan-1-ol
Synonyms	PubChem Synonyms
Exact mass	61.052764 (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	C2H7NO	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37102 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2
InChIKey	HZAXFHJVJLSVMW-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(CO)N Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic nitrogen compounds
Main Class	Amines
Sub Class	1,2-aminoalcohols
Distribution of Ethanolamine 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 Ethanolamine
External Links
Pubchem CID	700
ChEBI ID	16000
KEGG ID	C00189
HMDB ID	HMDB0000149
Chemspider ID	13835336
MetaCyc ID	ETHANOL-AMINE
EPA CompTox	DTXCID202000
Spectral data for Ethanolamine 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 Ethanolamine

Rxn ID	KEGG Reaction	Enzyme
R01468	ATP + Ethanolamine <=> ADP + Ethanolamine phosphate	ATP:ethanolamine O-phosphotransferase
R06870	Ethanolamine phosphate + H2O <=> Ethanolamine + Orthophosphate	Phosphoethanolamine phosphohydrolase

Table of KEGG human pathways containing Ethanolamine

Pathway ID	Human Pathway	# of reactions
hsa00564	Glycerophospholipid metabolism	3