RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0060581
RefMet name	Phosphoethanolamine
Systematic name	(2-aminoethoxy)phosphonic acid
Synonyms	PubChem Synonyms
Exact mass	141.019097 (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	C2H8NO4P	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37145 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)
InChIKey	SUHOOTKUPISOBE-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(COP(=O)(O)O)N Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic acids
Main Class	Phosphate esters
Sub Class	Phosphoethanolamines
Distribution of Phosphoethanolamine in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Studies	NMDR Studies reporting Phosphoethanolamine
External Links
Pubchem CID	1015
ChEBI ID	17553
KEGG ID	C00346
HMDB ID	HMDB0000224
Chemspider ID	990
MetaCyc ID	PHOSPHORYL-ETHANOLAMINE
Spectral data for Phosphoethanolamine 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 Phosphoethanolamine

Rxn ID	KEGG Reaction	Enzyme
R00748	Ethanolamine phosphate + H2O <=> Acetaldehyde + Ammonia + Orthophosphate	ethanolamine-phosphate phosphate-lyase (deaminating
R01468	ATP + Ethanolamine <=> ADP + Ethanolamine phosphate	ATP:ethanolamine O-phosphotransferase
R02038	CTP + Ethanolamine phosphate <=> Diphosphate + CDP-ethanolamine	CTP:ethanolamine-phosphate cytidylyltransferase
R02464	Sphinganine 1-phosphate <=> Ethanolamine phosphate + Hexadecanal	Sphinganine-1-phosphate pamlmitaldehyde-lyase
R06516	Sphingosine 1-phosphate <=> Ethanolamine phosphate + Hexadecenal	sphingosine-1-phosphate palmitaldehyde-lyase (phosphoethanolamine-forming)
R06870	Ethanolamine phosphate + H2O <=> Ethanolamine + Orthophosphate	Phosphoethanolamine phosphohydrolase

Table of KEGG human pathways containing Phosphoethanolamine

Pathway ID	Human Pathway	# of reactions
hsa00564	Glycerophospholipid metabolism	4
hsa00600	Sphingolipid metabolism	2