EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H33N3O6S |
| Net Charge | 0 |
| Average Mass | 515.632 |
| Monoisotopic Mass | 515.20901 |
| SMILES | C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccccc2)Oc2ncc(C#CC(C)(C)O)cc2C1=O |
| InChI | InChI=1S/C26H33N3O6S/c1-18-15-29(19(2)17-30)25(31)22-13-20(11-12-26(3,4)32)14-27-24(22)35-23(18)16-28(5)36(33,34)21-9-7-6-8-10-21/h6-10,13-14,18-19,23,30,32H,15-17H2,1-5H3/t18-,19+,23-/m0/s1 |
| InChIKey | JYGQURHRKDJHQY-YYDVJCTNSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[[(2R,3S)-8-(3-hydroxy-3-methylbut-1-ynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide (CHEBI:106299) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-17660 | LINCS |