EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H25N3O6 |
| Net Charge | 0 |
| Average Mass | 367.402 |
| Monoisotopic Mass | 367.17434 |
| SMILES | CC(C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O |
| InChI | InChI=1S/C17H25N3O6/c1-9(2)14(20-15(23)12(18)8-21)16(24)19-13(17(25)26)7-10-3-5-11(22)6-4-10/h3-6,9,12-14,21-22H,7-8,18H2,1-2H3,(H,19,24)(H,20,23)(H,25,26)/t12-,13-,14-/m0/s1 |
| InChIKey | ODRUTDLAONAVDV-IHRRRGAJSA-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) |
| Ser-Val-Tyr (CHEBI:163613) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid |