EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C10H12N2O3 |
| Net Charge | 0 |
| Average Mass | 208.217 |
| Monoisotopic Mass | 208.08479 |
| SMILES | CC(=O)OCCNC(=O)c1cccnc1 |
| InChI | InChI=1S/C10H12N2O3/c1-8(13)15-6-5-12-10(14)9-3-2-4-11-7-9/h2-4,7H,5-6H2,1H3,(H,12,14) |
| InChIKey | JQICNNKLTFYSLS-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| acetic acid 2-[[oxo(3-pyridinyl)methyl]amino]ethyl ester (CHEBI:92313) has functional parent nicotinamide (CHEBI:17154) |
| acetic acid 2-[[oxo(3-pyridinyl)methyl]amino]ethyl ester (CHEBI:92313) is a pyridinecarboxamide (CHEBI:25529) |
| Manual Xrefs | Databases |
|---|---|
| LSM-2381 | LINCS |