RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0153313
RefMet nameIsoglutamic acid
Systematic name3-aminopentanedioic acid
SynonymsPubChem Synonyms
Exact mass147.053159 (neutral)
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View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC5H9NO4View other entries in RefMet with this formula
Molecular descriptors
Molfile51853 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C5H9NO4/c6-3(1-4(7)8)2-5(9)10/h3H,1-2,6H2,(H,7,8)(H,9,10)
InChIKeyBBJIPMIXTXKYLZ-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC(C(CC(=O)O)N)C(=O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassDicarboxylic acids
Distribution of Isoglutamic acid in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Isoglutamic acid
External Links
Pubchem CID73064
ChEBI ID28791
KEGG IDC05574
Spectral data for Isoglutamic acid standards
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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