EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C9H13N3O5 |
| Net Charge | 0 |
| Average Mass | 243.219 |
| Monoisotopic Mass | 243.08552 |
| SMILES | N#CC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O |
| InChI | InChI=1S/C9H13N3O5/c10-4-3-6(9(16)17)12-7(13)2-1-5(11)8(14)15/h5-6H,1-3,11H2,(H,12,13)(H,14,15)(H,16,17)/t5-,6-/m0/s1 |
| InChIKey | QUAADUAOVLZBJM-WDSKDSINSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| γ-glutamyl-β-cyanoalanine (CHEBI:10565) has functional parent L-glutamine (CHEBI:18050) |
| γ-glutamyl-β-cyanoalanine (CHEBI:10565) has functional parent 3-cyano-L-alanine (CHEBI:16934) |
| γ-glutamyl-β-cyanoalanine (CHEBI:10565) has role mouse metabolite (CHEBI:75771) |
| γ-glutamyl-β-cyanoalanine (CHEBI:10565) has role plant metabolite (CHEBI:76924) |
| γ-glutamyl-β-cyanoalanine (CHEBI:10565) is a dipeptide (CHEBI:46761) |
| IUPAC Name |
|---|
| N-[(1S)-1-carboxy-2-cyanoethyl]-L-glutamine |
| Manual Xrefs | Databases |
|---|---|
| C05711 | KEGG COMPOUND |
| Registry Numbers | Sources |
|---|---|
| Reaxys:2419844 | Reaxys |
| CAS:16051-95-9 | KEGG COMPOUND |
| CAS:16051-95-9 | ChemIDplus |
| Citations |
|---|