EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H15N5O5 |
| Net Charge | 0 |
| Average Mass | 321.293 |
| Monoisotopic Mass | 321.10732 |
| SMILES | Nc1nc(=O)c2c(CNC=O)cn(C3C=C(O)C(CO)O3)c2n1 |
| InChI | InChI=1S/C13H15N5O5/c14-13-16-11-10(12(22)17-13)6(2-15-5-20)3-18(11)9-1-7(21)8(4-19)23-9/h1,3,5,8-9,19,21H,2,4H2,(H,15,20)(H3,14,16,17,22) |
| InChIKey | XAMPHPQHWJVRMG-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| dfPreQ1 (CHEBI:190460) is a organic molecular entity (CHEBI:50860) |