RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0042323
RefMet name	2-Oxoarginine
Systematic name	5-[(diaminomethylidene)amino]-2-oxopentanoic acid
Synonyms	PubChem Synonyms
Exact mass	173.080042 (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	C6H11N3O3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	38496 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C6H11N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h1-3H2,(H,11,12)(H4,7,8,9)
InChIKey	ARBHXJXXVVHMET-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(CC(=O)C(=O)O)CNC(=N)N Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic acids
Main Class	Keto acids
Sub Class	Short-chain keto acids
Distribution of 2-Oxoarginine 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 2-Oxoarginine
External Links
Pubchem CID	558
ChEBI ID	58489
KEGG ID	C03771
HMDB ID	HMDB0004225
Chemspider ID	542
MetaCyc ID	CPD-824
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 2-Oxoarginine

Rxn ID	KEGG Reaction	Enzyme
R02923	D-Arginine + H2O + Oxygen <=> 5-Guanidino-2-oxopentanoate + Ammonia + Hydrogen peroxide	D-Arginine:oxygen oxidoreductase (deaminating)
R02924	D-Arginine + 2-Oxo acid <=> 5-Guanidino-2-oxopentanoate + D-Amino acid	D-Arginine:2-oxoglutarate aminotransferase
R11018	D-Arginine + Acceptor + H2O <=> 5-Guanidino-2-oxopentanoate + Ammonia + Reduced acceptor	D-arginine:acceptor oxidoreductase (deaminating)

Table of KEGG human pathways containing 2-Oxoarginine

Pathway ID	Human Pathway	# of reactions
hsa01100	Metabolic pathways	2
hsa00472	D-Arginine and D-ornithine metabolism	1