EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | 2C14H18N6O |
| Net Charge | 0 |
| Average Mass | 572.678 |
| Monoisotopic Mass | 572.30842 |
| SMILES | Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](CO)C3)c2n1.Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](CO)C3)c2n1 |
| InChI | InChI=1S/2C14H18N6O/c2*15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h2*1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t2*8-,10+/m11/s1 |
| InChIKey | AZSQSUWXVPHQLM-WTDCLKBOSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-6701 (CHEBI:95335) is a nucleoside analogue (CHEBI:60783) |
| LSM-6701 (CHEBI:95335) is a purines (CHEBI:26401) |
| Manual Xrefs | Databases |
|---|---|
| LSM-6701 | LINCS |