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CHEBI:16934 - 3-cyano-L-alanine
| Formula | C4H6N2O2 |
| Net Charge | 0 |
| Average Mass | 114.104 |
| Monoisotopic Mass | 114.04293 |
| SMILES | N#CC[C@H](N)C(=O)O |
| InChI | InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 |
| InChIKey | BXRLWGXPSRYJDZ-VKHMYHEASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-cyano-L-alanine (CHEBI:16934) has role Escherichia coli metabolite (CHEBI:76971) |
| 3-cyano-L-alanine (CHEBI:16934) has role human metabolite (CHEBI:77746) |
| 3-cyano-L-alanine (CHEBI:16934) has role mouse metabolite (CHEBI:75771) |
| 3-cyano-L-alanine (CHEBI:16934) is a cyanoamino acid (CHEBI:60974) |
| 3-cyano-L-alanine (CHEBI:16934) is a non-proteinogenic L-α-amino acid (CHEBI:83822) |
| 3-cyano-L-alanine (CHEBI:16934) is conjugate acid of 3-cyano-L-alaninate (CHEBI:57954) |
| 3-cyano-L-alanine (CHEBI:16934) is tautomer of 3-cyano-L-alanine zwitterion (CHEBI:77860) |
| Incoming Relation(s) |
| γ-glutamyl-β-cyanoalanine (CHEBI:10565) has functional parent 3-cyano-L-alanine (CHEBI:16934) |
| 3-cyano-L-alaninate (CHEBI:57954) is conjugate base of 3-cyano-L-alanine (CHEBI:16934) |
| 3-cyano-L-alanine zwitterion (CHEBI:77860) is tautomer of 3-cyano-L-alanine (CHEBI:16934) |
| IUPAC Name |
|---|
| 3-cyano-L-alanine |
| Synonyms | Source |
|---|---|
| 3-Cyano-L-alanine | KEGG COMPOUND |
| L-3-Cyanoalanine | KEGG COMPOUND |
| L-beta-Cyanoalanine | KEGG COMPOUND |
| Citations |
|---|