EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C8H12N2O4 |
| Net Charge | 0 |
| Average Mass | 200.194 |
| Monoisotopic Mass | 200.07971 |
| SMILES | [H][C@]12CC(=O)N1C[C@H](C[C@H](N)C(=O)O)O2 |
| InChI | InChI=1S/C8H12N2O4/c9-5(8(12)13)1-4-3-10-6(11)2-7(10)14-4/h4-5,7H,1-3,9H2,(H,12,13)/t4-,5-,7-/m0/s1 |
| InChIKey | KCAIYJDHLVYANU-VPLCAKHXSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Alanylclavam (CHEBI:81029) is a furans (CHEBI:24129) |
| Alanylclavam (CHEBI:81029) is a organonitrogen compound (CHEBI:35352) |
| Manual Xrefs | Databases |
|---|---|
| C17360 | KEGG COMPOUND |