RefMet Compound Details

RefMet IDRM0158912
MW structure201487 (View MW Metabolite Database details)
RefMet nameOxyindolylalanine
Systematic name(2S)-2-amino-3-(2-oxoindolin-3-yl)propanoic acid
SMILESc1ccc2c(c1)C(C[C@@H](C(=O)O)N)C(=O)N2   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass220.084793 (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
FormulaC11H12N2O3View other entries in RefMet with this formula
InChI
InChIKeySFJCKRJKEWLPTL-MQWKRIRWSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID13393248
ChEBI ID195382
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo