RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135883
RefMet name	Dimethylglycine
Systematic name	2-(dimethylamino)acetic acid
Synonyms	PubChem Synonyms
Exact mass	103.063329 (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	C4H9NO2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37070 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7)
InChIKey	FFDGPVCHZBVARC-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CN(C)CC(=O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic acids
Main Class	Amino acids and peptides
Sub Class	Amino acids
Distribution of Dimethylglycine in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Dimethylglycine
External Links
Pubchem CID	673
ChEBI ID	17724
KEGG ID	C01026
HMDB ID	HMDB0000092
Chemspider ID	653
MetaCyc ID	DIMETHYL-GLYCINE
PhytoHub DB	PHUB002355
Spectral data for Dimethylglycine 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 Dimethylglycine

Rxn ID	KEGG Reaction	Enzyme
R01564	N,N-Dimethylglycine + H2O + Oxygen <=> Sarcosine + Formaldehyde + Hydrogen peroxide	N,N-Dimethylglycine:oxygen oxidoreductase (demethylating)
R01565	N,N-Dimethylglycine + Tetrahydrofolate + Electron-transferring flavoprotein <=> Sarcosine + 5,10-Methylenetetrahydrofolate + Reduced electron-transferring flavoprotein	N,N-dimethylglycine,5,6,7,8-tetrahydrofolate:electron-transferflavoprotein oxidoreductase (demethylating,5,10-methylenetetrahydrofolate-forming)
R02821	Betaine + L-Homocysteine <=> N,N-Dimethylglycine + L-Methionine	Trimethylaminoacetate:L-homosysteine S-methyltransferase
R07244	S-Adenosyl-L-methionine + N,N-Dimethylglycine <=> S-Adenosyl-L-homocysteine + Betaine	S-adenosyl-L-methionine:N,N-dimethylglycine N-methyltransferase
R12787	Betaine + Co(I) corrinoid protein <=> N,N-Dimethylglycine + Methyl-Co(III) corrinoid protein	glycine betaine:[Co(I) glycine betaine-specific corrinoid protein] Co-methyltransferase
R13016	Betaine + NADH + H+ + Oxygen <=> N,N-Dimethylglycine + NAD+ + Formaldehyde + H2O	glycine betaine,NADH:oxygen oxidoreductase (demethylating)
R13028	N,N-Dimethylglycine + 2 Oxidized ferredoxin + H2O <=> Sarcosine + Formaldehyde + 2 Reduced ferredoxin + 2 H+	N,N-dimethylglycine:ferredoxin oxidoreductase (demethylating)

Table of KEGG human pathways containing Dimethylglycine

Pathway ID	Human Pathway	# of reactions
hsa01100	Metabolic pathways	5
hsa00260	Glycine, serine and threonine metabolism	2
hsa00270	Cysteine and methionine metabolism	1