RefMet Compound Details

MW structure37363 (View MW Metabolite Database details)
RefMet nameHomocitrulline
Systematic name(2S)-2-amino-6-(carbamoylamino)hexanoic acid
SMILESC(CCNC(=O)N)C[C@@H](C(=O)O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass189.111342 (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
FormulaC7H15N3O3View other entries in RefMet with this formula
InChIKeyXIGSAGMEBXLVJJ-YFKPBYRVSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID65072
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)