EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H30N2O4 |
| Net Charge | 0 |
| Average Mass | 374.481 |
| Monoisotopic Mass | 374.22056 |
| SMILES | C[C@@H](NC(=O)C[C@@H]1CC[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)c1ccccc1 |
| InChI | InChI=1S/C21H30N2O4/c1-14(15-6-3-2-4-7-15)22-20(25)12-17-10-11-18(19(13-24)27-17)23-21(26)16-8-5-9-16/h2-4,6-7,14,16-19,24H,5,8-13H2,1H3,(H,22,25)(H,23,26)/t14-,17+,18-,19+/m1/s1 |
| InChIKey | PHXITHQOKRDDQC-FDPIWHGQSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide (CHEBI:120384) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-31827 | LINCS |