RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0140011
RefMet namePropyl alcohol
Systematic namePropan-1-ol
SynonymsPubChem Synonyms
Exact mass60.057515 (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
FormulaC3H8OView other entries in RefMet with this formula
Molecular descriptors
Molfile3191 (Download molfile/View MW Metabolite Database details)
InChI
InChIKeyBDERNNFJNOPAEC-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCCCO
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassFatty Acyls
Main ClassFatty alcohols
Sub ClassFatty alcohols
Distribution of Propyl alcohol in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Propyl alcohol
External Links
Pubchem CID1031
LIPID MAPSLMFA05000101
ChEBI ID28831
KEGG IDC05979
HMDB IDHMDB0000820
Chemspider ID1004
MetaCyc IDPROPANOL
Spectral data for Propyl alcohol 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)
  logo