EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H27N3O6 |
| Net Charge | 0 |
| Average Mass | 357.407 |
| Monoisotopic Mass | 357.18999 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(=O)O)C(=O)O |
| InChI | InChI=1S/C16H27N3O6/c1-3-9(2)13(16(24)25)18-14(22)11-5-4-8-19(11)15(23)10(17)6-7-12(20)21/h9-11,13H,3-8,17H2,1-2H3,(H,18,22)(H,20,21)(H,24,25)/t9-,10-,11-,13-/m0/s1 |
| InChIKey | JYXKPJVDCAWMDG-ZPFDUUQYSA-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) |
| Glu-Pro-Ile (CHEBI:163190) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S,3S)-2-[[(2S)-1-[(2S)-2-amino-4-carboxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid |