EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H28N4O4 |
| Net Charge | 0 |
| Average Mass | 304.391 |
| Monoisotopic Mass | 304.21106 |
| SMILES | CN[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CN)CC[C@H]2N)[C@@H](N)C[C@H]1O |
| InChI | InChI=1S/C13H28N4O4/c1-17-10-9(18)4-8(16)12(11(10)19)21-13-7(15)3-2-6(5-14)20-13/h6-13,17-19H,2-5,14-16H2,1H3/t6-,7+,8-,9+,10-,11+,12+,13+/m0/s1 |
| InChIKey | CPVYVUXPFHPEFB-LJKYVLQWSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Istamycin AP (CHEBI:81435) is a amino sugar (CHEBI:28963) |
| Manual Xrefs | Databases |
|---|---|
| C17984 | KEGG COMPOUND |