EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H31N7O6 |
| Net Charge | 0 |
| Average Mass | 417.467 |
| Monoisotopic Mass | 417.23358 |
| SMILES | N=C(N)NCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)O |
| InChI | InChI=1S/C16H31N7O6/c17-6-2-1-5-10(14(27)23-11(15(28)29)8-12(24)25)22-13(26)9(18)4-3-7-21-16(19)20/h9-11H,1-8,17-18H2,(H,22,26)(H,23,27)(H,24,25)(H,28,29)(H4,19,20,21)/t9-,10-,11-/m0/s1 |
| InChIKey | MJINRRBEMOLJAK-DCAQKATOSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| thymotrinan (CHEBI:751453) is a polypeptide (CHEBI:15841) |
| INNs | Source |
|---|---|
| thymotrinan | WHO MedNet |
| timotrinan | WHO MedNet |