EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H21N3O5 |
| Net Charge | 0 |
| Average Mass | 335.360 |
| Monoisotopic Mass | 335.14812 |
| SMILES | O=C(O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1 |
| InChI | InChI=1S/C16H21N3O5/c20-11-5-3-10(4-6-11)8-13(15(23)18-9-14(21)22)19-16(24)12-2-1-7-17-12/h3-6,12-13,17,20H,1-2,7-9H2,(H,18,23)(H,19,24)(H,21,22)/t12-,13-/m0/s1 |
| InChIKey | LZHHZYDPMZEMRX-STQMWFEESA-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) |
| Pro-Tyr-Gly (CHEBI:162751) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| 2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]acetic acid |