RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0048117
RefMet nameIndolepropionylglycine
Systematic name2-[3-(1H-indol-3-yl)propanoylamino]acetic acid
SynonymsPubChem Synonyms
Exact mass246.100443 (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
FormulaC13H14N2O3View other entries in RefMet with this formula
Molecular descriptors
Molfile78575 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C13H14N2O3/c16-12(15-8-13(17)18)6-5-9-7-14-11-4-2-1-3-10(9)11/h1-4,7,14H,5-6,8H2,(H,15,16)(H,17,18)
InChIKeyWPZHLFMFBBIAFZ-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESc1ccc2c(c1)c(CCC(=O)NCC(=O)O)c[nH]2
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 Indolepropionylglycine in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting Indolepropionylglycine
External Links
Pubchem CID7677842
ChEBI ID165865
HMDB IDHMDB0253470
Chemspider ID5990843
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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