RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0136257
RefMet name5-Methoxytryptamine
Systematic name2-(5-methoxy-1H-indol-3-yl)ethan-1-amine
SynonymsPubChem Synonyms
Exact mass190.110613 (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
FormulaC11H14N2OView other entries in RefMet with this formula
Molecular descriptors
Molfile38466 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
InChIKeyJTEJPPKMYBDEMY-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCOc1ccc2c(c1)c(CCN)c[nH]2
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassAlkaloids
Main ClassTryptophan alkaloids
Sub ClassTryptamines
Distribution of 5-Methoxytryptamine in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting 5-Methoxytryptamine
External Links
Pubchem CID1833
ChEBI ID2089
KEGG IDC05659
HMDB IDHMDB0004095
Chemspider ID1767
MetaCyc IDCPD-12018
EPA CompToxDTXCID10132129
Spectral data for 5-Methoxytryptamine 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)
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