RefMet Compound Details

MW structure37724 (View MW Metabolite Database details)
RefMet name4-Methylpentanal
Systematic name4-methylpentanal
SMILESCC(C)CCC=O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass100.088815 (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
FormulaC6H12OView other entries in RefMet with this formula
InChIInChI=1S/C6H12O/c1-6(2)4-3-5-7/h5-6H,3-4H2,1-2H3
InChIKeyJGEGJYXHCFUMJF-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic oxygen compounds
Main ClassCarbonyl compounds
Sub ClassAlpha-hydrogen aldehydes
Pubchem CID129
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG human pathways containing 4-Methylpentanal

Pathway IDHuman Pathway# of reactions
hsa00140 Steroid hormone biosynthesis 1
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