RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0007522
RefMet name	Choline phosphate
Systematic name	2-(trimethylammonio)ethyl hydrogen phosphate
Synonyms	PubChem Synonyms
Exact mass	183.066047 (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	C5H14NO4P	View other entries in RefMet with this formula
Molecular descriptors
Molfile	71621 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)
InChIKey	YHHSONZFOIEMCP-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C[N+](C)(C)CCOP(=O)(O)[O-] Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic nitrogen compounds
Main Class	Cholines
Sub Class	Cholines
Distribution of Choline phosphate in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Studies	NMDR Studies reporting Choline phosphate
External Links
Pubchem CID	135437
ChEBI ID	18132
KEGG ID	C00588
HMDB ID	HMDB0001565
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 Choline phosphate

Rxn ID	KEGG Reaction	Enzyme
R01021	ATP + Choline <=> ADP + Choline phosphate	ATP:choline phosphotransferase
R01890	CTP + Choline phosphate <=> Diphosphate + CDP-choline	CTP:choline-phosphate cytidylyltransferase
R06871	Choline phosphate + H2O <=> Choline + Orthophosphate	Phosphocholine phosphohydrolase

Table of KEGG human pathways containing Choline phosphate

Pathway ID	Human Pathway	# of reactions
hsa00564	Glycerophospholipid metabolism	3