EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C4H6O4.C14H18N6O |
| Net Charge | 0 |
| Average Mass | 404.427 |
| Monoisotopic Mass | 404.18082 |
| SMILES | Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](CO)C3)c2n1.O=C(O)CCC(=O)O |
| InChI | InChI=1S/C14H18N6O.C4H6O4/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21;5-3(6)1-2-4(7)8/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19);1-2H2,(H,5,6)(H,7,8)/t8-,10+;/m1./s1 |
| InChIKey | BOONDNCXQPMXQT-SCYNACPDSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| abacavir succinate (CHEBI:752161) is a purine nucleoside (CHEBI:26394) |