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CHEBI:21563 - N-acetyl-L-tyrosine
| Formula | C11H13NO4 |
| Net Charge | 0 |
| Average Mass | 223.228 |
| Monoisotopic Mass | 223.08446 |
| SMILES | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O |
| InChI | InChI=1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)/t10-/m0/s1 |
| InChIKey | CAHKINHBCWCHCF-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: | human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. EC 2.1.1.4 (acetylserotonin O-methyltransferase) inhibitor An EC 2.1.1.* (methyltransferases) inhibitor that interferes with the action of N-acetylserotonin methyltransferase (EC 2.1.1.4). human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. |
| Application: | biomarker A substance used as an indicator of a biological state. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-acetyl-L-tyrosine (CHEBI:21563) has role biomarker (CHEBI:59163) |
| N-acetyl-L-tyrosine (CHEBI:21563) has role EC 2.1.1.4 (acetylserotonin O-methyltransferase) inhibitor (CHEBI:71178) |
| N-acetyl-L-tyrosine (CHEBI:21563) has role human urinary metabolite (CHEBI:84087) |
| N-acetyl-L-tyrosine (CHEBI:21563) is a N-acetyltyrosine (CHEBI:68561) |
| N-acetyl-L-tyrosine (CHEBI:21563) is a N-acyl-L-tyrosine (CHEBI:90090) |
| N-acetyl-L-tyrosine (CHEBI:21563) is conjugate acid of N-acetyl-L-tyrosinate (CHEBI:133591) |
| Incoming Relation(s) |
| Ac-Tyr-Val-Ala-Asp-chloromethylketone (CHEBI:230455) has functional parent N-acetyl-L-tyrosine (CHEBI:21563) |
| N-acetyl-L-tyrosinate (CHEBI:133591) is conjugate base of N-acetyl-L-tyrosine (CHEBI:21563) |
| N-terminal N-acetyl-L-tyrosine residue (CHEBI:140860) is substituent group from N-acetyl-L-tyrosine (CHEBI:21563) |
| IUPAC Names |
|---|
| N-acetyl-L-tyrosine |
| (2S)-2-(acetylamino)-3-(4-hydroxyphenyl)propanoic acid |
| Synonyms | Source |
|---|---|
| N-Acetyl-4-hydroxyphenylalanine | HMDB |
| N-Acetyltyrosine | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0000866 | HMDB |
| 3NF | PDBeChem |
| 4481 | DrugCentral |
| Registry Numbers | Sources |
|---|---|
| Reaxys:2697172 | Reaxys |
| CAS:537-55-3 | ChemIDplus |
| Citations |
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