RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0135724
RefMet nameAsparagine
Systematic name(2S)-2-amino-3-carbamoylpropanoic acid
SynonymsPubChem Synonyms
Exact mass132.053493 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC4H8N2O3View other entries in RefMet with this formula
Molecular descriptors
Molfile37114 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
InChIKeyDCXYFEDJOCDNAF-REOHCLBHSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC([C@@H](C(=O)O)N)C(=O)N
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Distribution of Asparagine in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Asparagine
External Links
Pubchem CID6267
ChEBI ID17196
KEGG IDC00152
HMDB IDHMDB0000168
Chemspider ID6031
MetaCyc IDASN
EPA CompToxDTXCID90197276
Spectral data for Asparagine standards
BMRB ID(NMR)View NMR spectra
NP-MRD ID(NMR)View NMR spectra
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Asparagine

Rxn IDKEGG ReactionEnzyme
R00483 ATP + L-Aspartate + Ammonia <=> AMP + Diphosphate + L-AsparagineL-aspartate:ammonia ligase (AMP-forming)
R00485 L-Asparagine + H2O <=> L-Aspartate + AmmoniaL-asparagine amidohydrolase
R00578 ATP + L-Aspartate + L-Glutamine + H2O <=> AMP + Diphosphate + L-Asparagine + L-GlutamateL-aspartate:L-glutamine amido-ligase (AMP-forming)
R03648 ATP + L-Asparagine + tRNA(Asn) <=> AMP + Diphosphate + L-Asparaginyl-tRNA(Asn)L-Asparagine:tRNA(Asn) ligase (AMP-forming)

Table of KEGG human pathways containing Asparagine

Pathway IDHuman Pathway# of reactions
hsa00250 Alanine, aspartate and glutamate metabolism 2
hsa00970 Aminoacyl-tRNA biosynthesis 1
hsa01100 Metabolic pathways 1
hsa01230 Biosynthesis of amino acids 1
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