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 | O=C(N[C@H]1CC[C@H](CCNS(=O)(=O)Cc2ccccc2)O[C@@H]1CO)c1cnccn1 |
| InChI | InChI=1S/C20H26N4O5S/c25-13-19-17(24-20(26)18-12-21-10-11-22-18)7-6-16(29-19)8-9-23-30(27,28)14-15-4-2-1-3-5-15/h1-5,10-12,16-17,19,23,25H,6-9,13-14H2,(H,24,26)/t16-,17+,19-/m1/s1 |
| InChIKey | JKKDNXFJBMMQFP-ZIFCJYIRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2S,3S,6R)-6-[2-(benzylsulfonylamino)ethyl]-2-(hydroxymethyl)oxan-3-yl]pyrazine-2-carboxamide (CHEBI:97672) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-9051 | LINCS |