RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0040234
RefMet name	Guanidoacetic acid
Systematic name	2-carbamimidamidoacetic acid
Synonyms	PubChem Synonyms
Exact mass	117.053827 (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	C3H7N3O2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37090 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)
InChIKey	BPMFZUMJYQTVII-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(C(=O)O)NC(=N)N 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 Guanidoacetic acid 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 Guanidoacetic acid
External Links
Pubchem CID	763
ChEBI ID	16344
KEGG ID	C00581
HMDB ID	HMDB0000128
Chemspider ID	743
MetaCyc ID	GUANIDOACETIC_ACID
Spectral data for Guanidoacetic acid 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 Guanidoacetic acid

Rxn ID	KEGG Reaction	Enzyme
R00565	L-Arginine + Glycine <=> L-Ornithine + Guanidinoacetate	L-Arginine:glycine amidinotransferase
R01883	S-Adenosyl-L-methionine + Guanidinoacetate <=> S-Adenosyl-L-homocysteine + Creatine	S-Adenosyl-L-methionine:guanidinoacetate N-methyltransferase

Table of KEGG human pathways containing Guanidoacetic acid

Pathway ID	Human Pathway	# of reactions
hsa00260	Glycine, serine and threonine metabolism	2
hsa00330	Arginine and proline metabolism	2