EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H37N5O6 |
| Net Charge | 0 |
| Average Mass | 431.534 |
| Monoisotopic Mass | 431.27438 |
| SMILES | CCNC[C@@H]1CC[C@@H](N)[C@@H](O[C@H]2[C@H](O)[C@H](N(C)C(=O)CNC=O)[C@@H](OC)C[C@@H]2N)O1 |
| InChI | InChI=1S/C19H37N5O6/c1-4-22-8-11-5-6-12(20)19(29-11)30-18-13(21)7-14(28-3)16(17(18)27)24(2)15(26)9-23-10-25/h10-14,16-19,22,27H,4-9,20-21H2,1-3H3,(H,23,25)/t11-,12+,13-,14-,16+,17+,18+,19+/m0/s1 |
| InChIKey | HEQBQGYOPQNTBN-XIDLQPTCSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Istamycin C1 (CHEBI:81447) is a formamides (CHEBI:24079) |
| Manual Xrefs | Databases |
|---|---|
| C17996 | KEGG COMPOUND |