RefMet Compound Details

MW structure67065 (View MW Metabolite Database details)
RefMet nameN1,N8-Diacetylspermidine
Systematic nameN-[4-(3-acetamidopropylamino)butyl]acetamide
SMILESCC(=O)NCCCCNCCCNC(C)=O
Exact mass229.179027 (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
FormulaC11H23N3O2View other entries in RefMet with this formula
InChIInChI=1S/C11H23N3O2/c1-10(15)13-8-4-3-6-12-7-5-9-14-11(2)16/h12H,3-9H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyBKCVMAZDKFQPHB-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassCarboxylic acids
Sub ClassAcetamides
Pubchem CID389613
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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