EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H23N3O8 |
| Net Charge | 0 |
| Average Mass | 361.351 |
| Monoisotopic Mass | 361.14851 |
| SMILES | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)O |
| InChI | InChI=1S/C14H23N3O8/c1-6(2)3-9(14(24)25)17-13(23)8(5-11(20)21)16-12(22)7(15)4-10(18)19/h6-9H,3-5,15H2,1-2H3,(H,16,22)(H,17,23)(H,18,19)(H,20,21)(H,24,25)/t7-,8-,9-/m0/s1 |
| InChIKey | SBHUBSDEZQFJHJ-CIUDSAMLSA-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) |
| Asp-Asp-Leu (CHEBI:160417) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 414191 | ChemSpider |