EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:122380 - N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-thiazolylamino)ethyl]-3-oxanyl]-4-oxanecarboxamide
| Formula | C17H25N3O5S |
| Net Charge | 0 |
| Average Mass | 383.470 |
| Monoisotopic Mass | 383.15149 |
| SMILES | O=C(C[C@@H]1CC[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)Nc1nccs1 |
| InChI | InChI=1S/C17H25N3O5S/c21-10-14-13(19-16(23)11-3-6-24-7-4-11)2-1-12(25-14)9-15(22)20-17-18-5-8-26-17/h5,8,11-14,21H,1-4,6-7,9-10H2,(H,19,23)(H,18,20,22)/t12-,13-,14+/m0/s1 |
| InChIKey | BGYIYMFDHNUKRK-MELADBBJSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-thiazolylamino)ethyl]-3-oxanyl]-4-oxanecarboxamide (CHEBI:122380) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33823 | LINCS |