RefMet Compound Details

RefMet IDRM0050243
MW structure93717 (View MW Metabolite Database details)
RefMet nameHomarine
Systematic name1-methylpyridin-1-ium-2-carboxylate
SMILESC[n+]1ccccc1C(=O)[O-]   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass137.047679 (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
FormulaC7H7NO2View other entries in RefMet with this formula
InChI
InChIKeyBRTLKRNVNFIOPJ-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassAlkaloids
Main ClassPyridine alkaloids
Sub ClassNicotinic acid alkaloids
Pubchem CID3620
ChEBI ID69061
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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