RefMet Compound Details

RefMet IDRM0021863
MW structure67666 (View MW Metabolite Database details)
RefMet nameMethyl 4-aminobutanoate
Systematic namemethyl 4-aminobutanoate
SMILESCOC(=O)CCCN   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass117.078979 (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
FormulaC5H11NO2View other entries in RefMet with this formula
InChIInChI=1S/C5H11NO2/c1-8-5(7)3-2-4-6/h2-4,6H2,1H3
InChIKeyKVQGGLZHHFGHPU-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassCarboxylic acids
Sub ClassOther carboxylic acids
Pubchem CID18614
ChEBI ID42955
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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