EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H30N4O3 |
| Net Charge | 0 |
| Average Mass | 386.496 |
| Monoisotopic Mass | 386.23179 |
| SMILES | CCCCn1c(=O)c2nc(C34CC5CC(CC3C5)C4)nc2n(CCCO)c1=O |
| InChI | InChI=1S/C21H30N4O3/c1-2-3-5-25-18(27)16-17(24(20(25)28)6-4-7-26)23-19(22-16)21-11-13-8-14(12-21)10-15(21)9-13/h13-15,26H,2-12H2,1H3,(H,22,23) |
| InChIKey | CIBIXJYFYPFMTN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-1748 (CHEBI:91832) is a oxopurine (CHEBI:25810) |
| Manual Xrefs | Databases |
|---|---|
| LSM-1748 | LINCS |