RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135963
RefMet name	Arginine
Systematic name	(2S)-2-amino-5-[(diaminomethylidene)amino]pentanoic acid
Synonyms	PubChem Synonyms
Exact mass	174.111676 (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	C6H14N4O2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37289 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1
InChIKey	ODKSFYDXXFIFQN-BYPYZUCNSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(C[C@@H](C(=O)O)N)CNC(=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 Arginine 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 Arginine
External Links
Pubchem CID	6322
ChEBI ID	16467
KEGG ID	C00062
HMDB ID	HMDB0000517
Chemspider ID	6082
MetaCyc ID	ARG
EPA CompTox	DTXCID902618
Spectral data for Arginine 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 Arginine

Rxn ID	KEGG Reaction	Enzyme
R00551	L-Arginine + H2O <=> L-Ornithine + Urea	L-Arginine amidinohydrolase
R00552	L-Arginine + H2O <=> L-Citrulline + Ammonia	L-Arginine iminohydrolase
R00557	2 L-Arginine + 4 Oxygen + 3 NADPH + 3 H+ <=> 2 Nitric oxide + 2 L-Citrulline + 3 NADP+ + 4 H2O	L-arginine,NADPH:oxygen oxidoreductase (nitric-oxide-forming)
R00558	L-Arginine + Oxygen + NADPH + H+ <=> N(omega)-Hydroxyarginine + NADP+ + H2O	L-arginine,NADPH:oxygen oxidoreductase (N-(omega)-hydroxyarginine-forming)
R00565	L-Arginine + Glycine <=> L-Ornithine + Guanidinoacetate	L-Arginine:glycine amidinotransferase
R00566	L-Arginine <=> Agmatine + CO2	L-arginine carboxy-lyase (agmatine-forming)
R01086	N-(L-Arginino)succinate <=> Fumarate + L-Arginine	2-(Nomega-L-arginino)succinate arginine-lyase (fumarate-forming)
R03646	ATP + L-Arginine + tRNA(Arg) <=> AMP + Diphosphate + L-Arginyl-tRNA(Arg)	L-Arginine:tRNA(Arg) ligase (AMP-forming)
R11033	L-Arginine <=> N(omega)-Hydroxyarginine	L-Arginine <=> N(omega)-Hydroxyarginine
R11711	2 L-Arginine + 3 Reduced flavodoxin + 4 Oxygen <=> 2 L-Citrulline + 2 Nitric oxide + 3 Oxidized flavodoxin + 4 H2O	L-arginine,reduced-flavodoxin:oxygen oxidoreductase (nitric-oxide-forming)
R11712	2 L-Arginine + 2 Reduced flavodoxin + 2 Oxygen <=> 2 N(omega)-Hydroxyarginine + 2 Oxidized flavodoxin + 2 H2O	2 L-Arginine + 2 Reduced flavodoxin + 2 Oxygen <=> 2 N(omega)-Hydroxyarginine + 2 Oxidized flavodoxin + 2 H2O

Table of KEGG human pathways containing Arginine

Pathway ID	Human Pathway	# of reactions
hsa00330	Arginine and proline metabolism	4
hsa01100	Metabolic pathways	4
hsa00220	Arginine biosynthesis	3
hsa01230	Biosynthesis of amino acids	2
hsa00260	Glycine, serine and threonine metabolism	1
hsa00970	Aminoacyl-tRNA biosynthesis	1
hsa00250	Alanine, aspartate and glutamate metabolism	1