RefMet Compound Details

RefMet IDRM0152758
MW structure5023 (View MW Metabolite Database details)
RefMet name1-Octadecene
Systematic name1-Octadecene
SMILESC=CCCCCCCCCCCCCCCCC   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass252.281700 (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
FormulaC18H36View other entries in RefMet with this formula
InChIInChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3H,1,4-18H2,2H3
InChIKeyCCCMONHAUSKTEQ-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassHydrocarbons
Sub ClassHydrocarbons
Pubchem CID8217
ChEBI ID30824
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo