RefMet Compound Details

MW structure37361 (View MW Metabolite Database details)
RefMet nameHomocystine
Systematic name2-amino-4-{[(3S)-3-amino-3-carboxypropyl]disulfanyl}butanoic acid
SMILESC(CSSCCC(C(=O)O)N)[C@@H](C(=O)O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass268.055148 (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
FormulaC8H16N2O4S2View other entries in RefMet with this formula
InChIKeyZTVZLYBCZNMWCF-ZBHICJROSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID69382
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)