EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H13NO3 |
| Net Charge | 0 |
| Average Mass | 207.229 |
| Monoisotopic Mass | 207.08954 |
| SMILES | CC(=O)N[C@@H](Cc1ccccc1)C(=O)O |
| InChI | InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1 |
| InChIKey | CBQJSKKFNMDLON-JTQLQIEISA-N |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Application: | antidepressant Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-acetyl-L-phenylalanine (CHEBI:16259) has role metabolite (CHEBI:25212) |
| N-acetyl-L-phenylalanine (CHEBI:16259) is a N-acetyl-L-amino acid (CHEBI:21545) |
| N-acetyl-L-phenylalanine (CHEBI:16259) is a N-acetylphenylalanine (CHEBI:21626) |
| N-acetyl-L-phenylalanine (CHEBI:16259) is a N-acyl-L-phenylalanine (CHEBI:77673) |
| N-acetyl-L-phenylalanine (CHEBI:16259) is conjugate acid of N-acetyl-L-phenylalaninate (CHEBI:57702) |
| N-acetyl-L-phenylalanine (CHEBI:16259) is enantiomer of N-acetyl-D-phenylalanine (CHEBI:28203) |
| Incoming Relation(s) |
| N-acetyl-L-phenylalanyl-L-diiodotyrosine (CHEBI:28253) has functional parent N-acetyl-L-phenylalanine (CHEBI:16259) |
| N-acetyl-L-phenylalaninate (CHEBI:57702) is conjugate base of N-acetyl-L-phenylalanine (CHEBI:16259) |
| N-acetyl-D-phenylalanine (CHEBI:28203) is enantiomer of N-acetyl-L-phenylalanine (CHEBI:16259) |
| IUPAC Names |
|---|
| N-acetyl-L-phenylalanine |
| (2S)-2-(acetylamino)-3-phenylpropanoic acid |
| Synonyms | Source |
|---|---|
| N-Acetyl-L-phenylalanine | KEGG COMPOUND |
| Acetyl-L-phenylalanine | ChemIDplus |
| Acetylphenylalanine | ChemIDplus |
| L-N-Acetylphenylalanine | ChemIDplus |
| N-Acetylphenylalanine | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| C03519 | KEGG COMPOUND |
| HMDB0000512 | HMDB |
| CPD-439 | MetaCyc |
| Registry Numbers | Sources |
|---|---|
| Reaxys:2213853 | Reaxys |
| CAS:2018-61-3 | KEGG COMPOUND |
| CAS:2018-61-3 | ChemIDplus |
| Citations |
|---|