EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H17N3O2 |
| Net Charge | 0 |
| Average Mass | 307.353 |
| Monoisotopic Mass | 307.13208 |
| SMILES | Cc1ccc2nc(NCCC(=O)O)nc(-c3ccccc3)c2c1 |
| InChI | InChI=1S/C18H17N3O2/c1-12-7-8-15-14(11-12)17(13-5-3-2-4-6-13)21-18(20-15)19-10-9-16(22)23/h2-8,11H,9-10H2,1H3,(H,22,23)(H,19,20,21) |
| InChIKey | DTPLBMZQZYRCFA-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-[(6-methyl-4-phenyl-2-quinazolinyl)amino]propanoic acid (CHEBI:108265) is a pyrimidines (CHEBI:39447) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19642 | LINCS |