EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H17N3O6 |
| Net Charge | 0 |
| Average Mass | 287.272 |
| Monoisotopic Mass | 287.11174 |
| SMILES | [H][C@]12CC(=O)N1C[C@H](C(O)[C@H](NC(=O)[C@H](C)N)C(=O)O)O2 |
| InChI | InChI=1S/C11H17N3O6/c1-4(12)10(17)13-8(11(18)19)9(16)5-3-14-6(15)2-7(14)20-5/h4-5,7-9,16H,2-3,12H2,1H3,(H,13,17)(H,18,19)/t4-,5+,7-,8-,9?/m0/s1 |
| InChIKey | HYVUCUGHACXFFU-NQIQCGANSA-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) |
| Clavamycin E (CHEBI:81034) is a peptide (CHEBI:16670) |
| Manual Xrefs | Databases |
|---|---|
| C17365 | KEGG COMPOUND |