RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0135032
RefMet nameHeptadecane
Systematic nameheptadecane
SynonymsPubChem Synonyms
Exact mass240.281701 (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
FormulaC17H36View other entries in RefMet with this formula
Molecular descriptors
Molfile4708 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3
InChIKeyNDJKXXJCMXVBJW-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCCCCCCCCCCCCCCCCC
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassFatty Acyls
Main ClassHydrocarbons
Sub ClassHydrocarbons
Distribution of Heptadecane in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Heptadecane
External Links
Pubchem CID12398
LIPID MAPSLMFA11000003
ChEBI ID16148
KEGG IDC01816
HMDB IDHMDB0059830
MetaCyc IDHEPTADECANE-CPD
Spectral data for Heptadecane 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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