RefMet Compound Details

MW structure37073 (View MW Metabolite Database details)
RefMet nameCholine
Systematic name(2-hydroxyethyl)trimethylazanium
SMILESC[N+](C)(C)CCO
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
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
Super ClassOrganic nitrogen compounds
Main ClassCholines
Sub ClassCholines
Pubchem CID305
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
Human quantitationView measurements in targeted assays on human samples

Table of KEGG reactions in human pathways involving Choline

Rxn IDKEGG ReactionEnzyme
R01021 ATP + Choline <=> ADP + Choline phosphateATP:choline phosphotransferase
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+
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
R01022 Choline + Oxygen <=> Betaine aldehyde + Hydrogen peroxidecholine:oxygen 1-oxidoreductase

Table of KEGG human pathways containing Choline

Pathway IDHuman Pathway# of reactions
hsa00564 Glycerophospholipid metabolism 2
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