EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H37N3O5S |
| Net Charge | 0 |
| Average Mass | 455.621 |
| Monoisotopic Mass | 455.24539 |
| SMILES | CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NS(=O)(=O)CC)ccc2OC[C@@H]1C |
| InChI | InChI=1S/C22H37N3O5S/c1-7-11-25-13-16(3)21(29-6)14-24(5)22(26)19-12-18(23-31(27,28)8-2)9-10-20(19)30-15-17(25)4/h9-10,12,16-17,21,23H,7-8,11,13-15H2,1-6H3/t16-,17-,21+/m0/s1 |
| InChIKey | IIWCVUJRFUKBIA-XGHQBKJUSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide (CHEBI:106672) is a azamacrocycle (CHEBI:52898) |
| N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide (CHEBI:106672) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18030 | LINCS |