RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0028739
RefMet nameCholine
Systematic name(2-hydroxyethyl)trimethylazanium
SynonymsPubChem Synonyms
Exact mass104.107539 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC5H14NOView other entries in RefMet with this formula
Molecular descriptors
Molfile37073 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
InChIKeyOEYIOHPDSNJKLS-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC[N+](C)(C)CCO
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassOrganic nitrogen compounds
Main ClassCholines
Sub ClassCholines
Distribution of Choline in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting Choline
External Links
Pubchem CID305
ChEBI ID15354
KEGG IDC00114
HMDB IDHMDB0000097
Chemspider ID299
MetaCyc IDCHOLINE
Spectral data for Choline standards
BMRB ID(NMR)View NMR spectra
NP-MRD ID(NMR)View NMR spectra
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Choline

Rxn IDKEGG ReactionEnzyme
R01021 ATP + Choline <=> ADP + Choline phosphateATP:choline phosphotransferase
R01022 Choline + Oxygen <=> Betaine aldehyde + Hydrogen peroxidecholine:oxygen 1-oxidoreductase
R01023 Acetyl-CoA + Choline <=> CoA + AcetylcholineAcetyl-CoA:choline O-acetyltransferase
R01025 Choline + Acceptor <=> Betaine aldehyde + Reduced acceptorcholine:acceptor 1-oxidoreductase
R01026 Acetylcholine + H2O <=> Choline + AcetateAcetylcholine aectylhydrolase
R06871 Choline phosphate + H2O <=> Choline + OrthophosphatePhosphocholine phosphohydrolase
R07409 Choline + Oxygen + 2 Reduced ferredoxin + 2 H+ <=> Betaine aldehyde + 2 H2O + 2 Oxidized ferredoxincholine,reduced-ferredoxin:oxygen oxidoreductase
R08557 Choline + NAD+ <=> Betaine aldehyde + NADH + H+Choline + NAD+ <=> Betaine aldehyde + NADH + H+
R08558 Choline + NADP+ <=> Betaine aldehyde + NADPH + H+Choline + NADP+ <=> Betaine aldehyde + NADPH + H+

Table of KEGG human pathways containing Choline

Pathway IDHuman Pathway# of reactions
hsa00564 Glycerophospholipid metabolism 5
hsa01100 Metabolic pathways 4
hsa00260 Glycine, serine and threonine metabolism 1
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