EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C22H27FN4O4 |
| Net Charge | 0 |
| Average Mass | 430.480 |
| Monoisotopic Mass | 430.20163 |
| SMILES | O=C(Cc1ccncc1)NCC[C@@H]1CC[C@H](NC(=O)Nc2cccc(F)c2)[C@H](CO)O1 |
| InChI | InChI=1S/C22H27FN4O4/c23-16-2-1-3-17(13-16)26-22(30)27-19-5-4-18(31-20(19)14-28)8-11-25-21(29)12-15-6-9-24-10-7-15/h1-3,6-7,9-10,13,18-20,28H,4-5,8,11-12,14H2,(H,25,29)(H2,26,27,30)/t18-,19-,20-/m0/s1 |
| InChIKey | CAUJNQQMPJLGLW-UFYCRDLUSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[2-[(2S,5S,6R)-5-[[(3-fluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-pyridin-4-ylacetamide (CHEBI:118336) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-29785 | LINCS |