EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H29N3O5 |
| Net Charge | 0 |
| Average Mass | 391.468 |
| Monoisotopic Mass | 391.21072 |
| SMILES | COc1ccc(NC(=O)N[C@@H]2CC[C@@H](CC(=O)NC3CCC3)O[C@@H]2CO)cc1 |
| InChI | InChI=1S/C20H29N3O5/c1-27-15-7-5-14(6-8-15)22-20(26)23-17-10-9-16(28-18(17)12-24)11-19(25)21-13-3-2-4-13/h5-8,13,16-18,24H,2-4,9-12H2,1H3,(H,21,25)(H2,22,23,26)/t16-,17+,18+/m0/s1 |
| InChIKey | OPNJNCHASNUPJL-RCCFBDPRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-cyclobutyl-2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)carbamoylamino]oxan-2-yl]acetamide (CHEBI:98254) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-9633 | LINCS |