RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0012560
RefMet name	Glutamine
Systematic name	(2S)-2-amino-4-carbamoylbutanoic acid
Synonyms	PubChem Synonyms
Exact mass	146.069143 (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	C5H10N2O3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37346 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
InChIKey	ZDXPYRJPNDTMRX-VKHMYHEASA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(CC(=O)N)[C@@H](C(=O)O)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 Glutamine in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Studies	NMDR Studies reporting Glutamine
External Links
Pubchem CID	5961
ChEBI ID	18050
KEGG ID	C00064
HMDB ID	HMDB0000641
Chemspider ID	5746
MetaCyc ID	GLN
EPA CompTox	DTXCID9024304
Spectral data for Glutamine 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 Glutamine

Rxn ID	KEGG Reaction	Enzyme
R00253	ATP + L-Glutamate + Ammonia <=> ADP + Orthophosphate + L-Glutamine	L-Glutamate:ammonia ligase (ADP-forming)
R00256	L-Glutamine + H2O <=> L-Glutamate + Ammonia	L-glutamine amidohydrolase
R00575	2 ATP + L-Glutamine + HCO3- + H2O <=> 2 ADP + Orthophosphate + L-Glutamate + Carbamoyl phosphate	HCO3-:L-glutamine amido-ligase (ADP-forming, carbamate-phosphorylating)
R00768	L-Glutamine + D-Fructose 6-phosphate <=> L-Glutamate + D-Glucosamine 6-phosphate	L-glutamine:D-fructose-6-phosphate isomerase (deaminating)
R01072	5-Phosphoribosylamine + Diphosphate + L-Glutamate <=> L-Glutamine + 5-Phospho-alpha-D-ribose 1-diphosphate + H2O	5-phosphoribosylamine:diphosphate phospho-alpha-D-ribosyltransferase (glutamate-amidating)
R03652	ATP + L-Glutamine + tRNA(Gln) <=> AMP + Diphosphate + Glutaminyl-tRNA	L-Glutamine:tRNA(Gln) ligase (AMP-forming)

Table of KEGG human pathways containing Glutamine

Pathway ID	Human Pathway	# of reactions
hsa00250	Alanine, aspartate and glutamate metabolism	4
hsa00220	Arginine biosynthesis	2
hsa00240	Pyrimidine metabolism	1
hsa00471	D-Glutamine and D-glutamate metabolism	1
hsa00630	Glyoxylate and dicarboxylate metabolism	1
hsa00910	Nitrogen metabolism	1
hsa00970	Aminoacyl-tRNA biosynthesis	1
hsa01230	Biosynthesis of amino acids	1
hsa00230	Purine metabolism	1