RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135871
RefMet name	Argininosuccinic acid
Systematic name	(2S)-2-{1-[(4S)-4-amino-4-carboxybutyl]carbamimidamido}butanedioic acid
Synonyms	PubChem Synonyms
Exact mass	290.122636 (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	C10H18N4O6	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37046 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5 -,6-/m0/s1
InChIKey	KDZOASGQNOPSCU-WDSKDSINSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(C[C@@H](C(=O)O)N)CNC(=N)N[C@@H](CC(=O)O)C(=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 Argininosuccinic 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 Argininosuccinic acid
External Links
Pubchem CID	16950
ChEBI ID	184023
KEGG ID	C03406
HMDB ID	HMDB0000052
Chemspider ID	16059
MetaCyc ID	L-ARGININO-SUCCINATE
EPA CompTox	DTXCID40218622
Spectral data for Argininosuccinic acid standards
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 Argininosuccinic acid

Rxn ID	KEGG Reaction	Enzyme
R01086	N-(L-Arginino)succinate <=> Fumarate + L-Arginine	2-(Nomega-L-arginino)succinate arginine-lyase (fumarate-forming)
R01954	ATP + L-Citrulline + L-Aspartate <=> AMP + Diphosphate + N-(L-Arginino)succinate	L-Citrulline:L-aspartate ligase (AMP-forming)

Table of KEGG human pathways containing Argininosuccinic acid

Pathway ID	Human Pathway	# of reactions
hsa00220	Arginine biosynthesis	2
hsa00250	Alanine, aspartate and glutamate metabolism	2
hsa01230	Biosynthesis of amino acids	2