EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H33N3O4 |
| Net Charge | 0 |
| Average Mass | 391.512 |
| Monoisotopic Mass | 391.24711 |
| SMILES | CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)NC[C@@H](C)[C@@H](OC)CN(C)C2=O |
| InChI | InChI=1S/C21H33N3O4/c1-6-7-20(25)23-16-8-9-17-18(10-16)28-13-15(3)22-11-14(2)19(27-5)12-24(4)21(17)26/h8-10,14-15,19,22H,6-7,11-13H2,1-5H3,(H,23,25)/t14-,15-,19+/m1/s1 |
| InChIKey | AZDABJQXNZGANX-CLCXKQKWSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide (CHEBI:99460) is a azamacrocycle (CHEBI:52898) |
| N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide (CHEBI:99460) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-10839 | LINCS |