EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H32N2O7S |
| Net Charge | 0 |
| Average Mass | 456.561 |
| Monoisotopic Mass | 456.19302 |
| SMILES | COc1ccccc1S(=O)(=O)N[C@H]1CC[C@H](CCNC(=O)C2CCOCC2)O[C@H]1CO |
| InChI | InChI=1S/C21H32N2O7S/c1-28-18-4-2-3-5-20(18)31(26,27)23-17-7-6-16(30-19(17)14-24)8-11-22-21(25)15-9-12-29-13-10-15/h2-5,15-17,19,23-24H,6-14H2,1H3,(H,22,25)/t16-,17+,19+/m1/s1 |
| InChIKey | BDFFQCHCBQOAPA-AOIWGVFYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-4-oxanecarboxamide (CHEBI:99443) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-10822 | LINCS |