RefMet Compound Details

RefMet IDRM0187568
MW structure199683 (View MW Metabolite Database details)
RefMet namedelta-Valerobetaine
Systematic name5-(trimethylammonio)pentanoate
SMILESC[N+](C)(C)CCCCC(=O)[O-]   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass159.125929 (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
FormulaC8H17NO2View other entries in RefMet with this formula
InChI
InChIKeyCDLVFVFTRQPQFU-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassAmino FA
Pubchem CID14274897
ChEBI ID145234
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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