EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H16N6O4 |
| Net Charge | 0 |
| Average Mass | 308.298 |
| Monoisotopic Mass | 308.12330 |
| SMILES | CCNC(=O)C1OC(n2cnc3c(N)ncnc32)C(O)C1O |
| InChI | InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16) |
| InChIKey | JADDQZYHOWSFJD-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-2-oxolanecarboxamide (CHEBI:91647) is a purine nucleoside (CHEBI:26394) |
| Manual Xrefs | Databases |
|---|---|
| LSM-1481 | LINCS |