RefMet Compound Details

MW structure37703 (View MW Metabolite Database details)
RefMet nameN1-Acetylspermidine
Systematic nameN-{3-[(4-aminobutyl)amino]propyl}acetamide
SMILESCC(=O)NCCCNCCCCN   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass187.168462 (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
FormulaC9H21N3OView other entries in RefMet with this formula
InChIKeyMQTAVJHICJWXBR-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassAlkaloids
Main ClassOrnithine alkaloids
Sub ClassPolyamines
Pubchem CID496
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)