EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C13H18N2O5 |
| Net Charge | 0 |
| Average Mass | 282.296 |
| Monoisotopic Mass | 282.12157 |
| SMILES | CC(O)C(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)O |
| InChI | InChI=1S/C13H18N2O5/c1-7(16)11(13(19)20)15-12(18)10(14)6-8-2-4-9(17)5-3-8/h2-5,7,10-11,16-17H,6,14H2,1H3,(H,15,18)(H,19,20) |
| InChIKey | MFEVVAXTBZELLL-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Tyrosyl-Threonine (CHEBI:174005) is a dipeptide (CHEBI:46761) |
| IUPAC Name |
|---|
| 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 14526369 | ChemSpider |
| HMDB0029115 | HMDB |