RefMet Compound Details

MW structure38851 (View MW Metabolite Database details)
RefMet name2,4-Diaminobutyric acid
Systematic name(2S)-2,4-diaminobutanoic acid
SMILESC(CN)[C@@H](C(=O)O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass118.074228 (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
FormulaC4H10N2O2View other entries in RefMet with this formula
InChIInChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1
InChIKeyOGNSCSPNOLGXSM-VKHMYHEASA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassAmino FA
Pubchem CID134490
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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