RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0050309
RefMet nameDesaminotyrosine
Systematic name3-(4-hydroxyphenyl)propanoic acid
SynonymsPubChem Synonyms
Exact mass166.062995 (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
FormulaC9H10O3View other entries in RefMet with this formula
Molecular descriptors
Molfile38071 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)
InChIKeyNMHMNPHRMNGLLB-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESc1cc(ccc1CCC(=O)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassOrganic acids
Main ClassPhenylpropanoids
Sub ClassCinnamic acids
Distribution of Desaminotyrosine 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 Desaminotyrosine
External Links
Pubchem CID10394
ChEBI ID32980
KEGG IDC01744
HMDB IDHMDB0002199
Chemspider ID9965
PhytoHub DBPHUB001177
Spectral data for Desaminotyrosine 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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