RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0139503
RefMet nameCetyl alcohol
Systematic name1-hexadecanol
SynonymsPubChem Synonyms
Exact mass242.260965 (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
FormulaC16H34OView other entries in RefMet with this formula
Molecular descriptors
Molfile3154 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3
InChIKeyBXWNKGSJHAJOGX-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCCCCCCCCCCCCCCCCO
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassFatty Acyls
Main ClassFatty alcohols
Sub ClassFatty alcohols
Distribution of Cetyl alcohol 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 Cetyl alcohol
External Links
Pubchem CID2682
LIPID MAPSLMFA05000061
ChEBI ID16125
KEGG IDC00823
HMDB IDHMDB0003424
Chemspider ID2581
MetaCyc IDCPD-348
Spectral data for Cetyl 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)
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