EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C8H12N4O5 |
| Net Charge | 0 |
| Average Mass | 244.207 |
| Monoisotopic Mass | 244.08077 |
| SMILES | NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@H](O)C2O)n1 |
| InChI | InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4+,5?,8-/m1/s1 |
| InChIKey | IWUCXVSUMQZMFG-PLQOEAATSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,2,4-triazole-3-carboxamide (CHEBI:95153) is a nucleobase-containing molecular entity (CHEBI:61120) |
| Manual Xrefs | Databases |
|---|---|
| LSM-6426 | LINCS |