EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H27N3O6 |
| Net Charge | 0 |
| Average Mass | 381.429 |
| Monoisotopic Mass | 381.18999 |
| SMILES | CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O |
| InChI | InChI=1S/C18H27N3O6/c1-9(2)14(17(25)21-15(10(3)22)18(26)27)20-16(24)13(19)8-11-4-6-12(23)7-5-11/h4-7,9-10,13-15,22-23H,8,19H2,1-3H3,(H,20,24)(H,21,25)(H,26,27)/t10-,13+,14+,15+/m1/s1 |
| InChIKey | ABSXSJZNRAQDDI-KJEVXHAQSA-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) |
| Tyr-Val-Thr (CHEBI:166051) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid |