RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0156398
RefMet nameIndole-3-lactic acid
Systematic name2-hydroxy-3-(1H-indol-3-yl)propanoic acid
SynonymsPubChem Synonyms
Exact mass205.073894 (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
FormulaC11H11NO3View other entries in RefMet with this formula
Molecular descriptors
Molfile78524 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)
InChIKeyXGILAAMKEQUXLS-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESc1ccc2c(c1)c(CC(C(=O)O)O)c[nH]2
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassAlkaloids
Main ClassTryptophan alkaloids
Sub ClassIndolecarboxylic acids
Distribution of Indole-3-lactic acid 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 Indole-3-lactic acid
External Links
Pubchem CID92904
ChEBI ID24813
KEGG IDC02043
HMDB IDHMDB0000671
Chemspider ID83867
EPA CompToxDTXCID90811480
NPAtlas DBNP002009
Spectral data for Indole-3-lactic 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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