RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0136301
RefMet name4-Hydroxyphenylacetylglutamine
Systematic name2-[2-(4-hydroxyphenyl)acetamido]pentanedioic acid
SynonymsPubChem Synonyms
Exact mass281.089939 (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
FormulaC13H15NO6View other entries in RefMet with this formula
Molecular descriptors
Molfile38815 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C13H15NO6/c15-9-3-1-8(2-4-9)7-11(16)14-10(13(19)20)5-6-12(17)18/h1-4,10,15H,5-7H2,(H,14,16)(H,17,18)(H,19,20)
InChIKeyCYRKYXZJUIBBJX-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESc1cc(ccc1CC(=O)NC(CCC(=O)O)C(=O)O)O
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 4-Hydroxyphenylacetylglutamine in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting 4-Hydroxyphenylacetylglutamine
External Links
Pubchem CID440731
ChEBI ID28036
KEGG IDC05595
HMDB IDHMDB0006061
Chemspider ID389603
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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