RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0118204
RefMet name	Dimethylethanolamine
Systematic name	2-(dimethylamino)ethan-1-ol
Synonyms	PubChem Synonyms
Exact mass	89.084064 (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	C4H11NO	View other entries in RefMet with this formula
Molecular descriptors
Molfile	45347 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3
InChIKey	UEEJHVSXFDXPFK-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CN(C)CCO Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic nitrogen compounds
Main Class	Amines
Sub Class	Tertiary amines
Distribution of Dimethylethanolamine 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 Dimethylethanolamine
External Links
Pubchem CID	7902
ChEBI ID	271436
KEGG ID	C04308
HMDB ID	HMDB0032231
Chemspider ID	13854944
EPA CompTox	DTXCID00505
Spectral data for Dimethylethanolamine standards
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 Dimethylethanolamine

Rxn ID	KEGG Reaction	Enzyme
R01320	S-Adenosyl-L-methionine + Phosphatidyl-N-dimethylethanolamine <=> S-Adenosyl-L-homocysteine + Phosphatidylcholine	S-adenosyl-L-methionine:phosphatidyl-N-dimethylethanolamine N-methyltransferase
R03424	S-Adenosyl-L-methionine + Phosphatidyl-N-methylethanolamine <=> S-Adenosyl-L-homocysteine + Phosphatidyl-N-dimethylethanolamine	S-adenosyl-L-methionine:phosphatidyl-N-methylethanolamine N-methyltransferase

Table of KEGG human pathways containing Dimethylethanolamine

Pathway ID	Human Pathway	# of reactions
hsa00564	Glycerophospholipid metabolism	2