EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H26N4O5S |
| Net Charge | 0 |
| Average Mass | 434.518 |
| Monoisotopic Mass | 434.16239 |
| SMILES | Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CC(=O)NCc3ccncn3)O[C@H]2CO)cc1 |
| InChI | InChI=1S/C20H26N4O5S/c1-14-2-5-17(6-3-14)30(27,28)24-18-7-4-16(29-19(18)12-25)10-20(26)22-11-15-8-9-21-13-23-15/h2-3,5-6,8-9,13,16,18-19,24-25H,4,7,10-12H2,1H3,(H,22,26)/t16-,18+,19+/m1/s1 |
| InChIKey | ZYZRAOAZZGCSLT-NEWSRXKRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]-N-(4-pyrimidinylmethyl)acetamide (CHEBI:122300) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33743 | LINCS |