RefMet Compound Details

MW structure37042 (View MW Metabolite Database details)
RefMet nameBetaine
Systematic name2-(trimethylazaniumyl)acetate
SMILESC[N+](C)(C)CC([O-])=O
Exact mass117.078979 (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
FormulaC5H11NO2View other entries in RefMet with this formula
InChIInChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3
InChIKeyKWIUHFFTVRNATP-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID247
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 Betaine

Rxn IDKEGG ReactionEnzyme
R02565 Betaine aldehyde + NAD+ + H2O <=> Betaine + NADH + 2 H+p-cumic alcohol:NAD+ oxidoreductase
R02821 Betaine + L-Homocysteine <=> N,N-Dimethylglycine + L-MethionineTrimethylaminoacetate:L-homosysteine S-methyltransferase
R12787 Betaine + Co(I) corrinoid protein <=> N,N-Dimethylglycine + Methyl-Co(III) corrinoid proteinglycine betaine:[Co(I) glycine betaine-specific corrinoid protein] Co-methyltransferase
R13016 Betaine + NADH + H+ + Oxygen <=> N,N-Dimethylglycine + NAD+ + Formaldehyde + H2Oglycine betaine,NADH:oxygen oxidoreductase (demethylating)
R07244 S-Adenosyl-L-methionine + N,N-Dimethylglycine <=> S-Adenosyl-L-homocysteine + BetaineS-adenosyl-L-methionine:N,N-dimethylglycine N-methyltransferase
R08211 Betaine aldehyde + Oxygen + H2O <=> Betaine + Hydrogen peroxidebetaine aldehyde:oxygen oxidoreductase
R02566 Betaine aldehyde + NADP+ + H2O <=> Betaine + NADPH + 2 H+p-Cumic alcohol:NADP+ oxidoreductase

Table of KEGG human pathways containing Betaine

Pathway IDHuman Pathway# of reactions
hsa01100 Metabolic pathways 6
hsa00260 Glycine, serine and threonine metabolism 3
hsa00270 Cysteine and methionine metabolism 1
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