EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H39N5O4 |
| Net Charge | 0 |
| Average Mass | 449.596 |
| Monoisotopic Mass | 449.30020 |
| SMILES | C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)C2CCCCC2)OCc2cnnn2CCCC1=O |
| InChI | InChI=1S/C23H39N5O4/c1-17-13-27(18(2)15-29)22(30)10-7-11-28-20(12-24-25-28)16-32-21(17)14-26(3)23(31)19-8-5-4-6-9-19/h12,17-19,21,29H,4-11,13-16H2,1-3H3/t17-,18+,21-/m0/s1 |
| InChIKey | UQDZIKNGRITESQ-UEXGIBASSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methylcyclohexanecarboxamide (CHEBI:96842) is a azamacrocycle (CHEBI:52898) |
| N-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methylcyclohexanecarboxamide (CHEBI:96842) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-8221 | LINCS |