EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H29N3O4 |
| Net Charge | 0 |
| Average Mass | 327.425 |
| Monoisotopic Mass | 327.21581 |
| SMILES | CCCNC(=O)N[C@H]1CC[C@@H](CC(=O)NC2CCC2)O[C@H]1CO |
| InChI | InChI=1S/C16H29N3O4/c1-2-8-17-16(22)19-13-7-6-12(23-14(13)10-20)9-15(21)18-11-4-3-5-11/h11-14,20H,2-10H2,1H3,(H,18,21)(H2,17,19,22)/t12-,13-,14-/m0/s1 |
| InChIKey | YUDVUYFJPOOWEQ-IHRRRGAJSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-cyclobutyl-2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[[oxo(propylamino)methyl]amino]-2-oxanyl]acetamide (CHEBI:118670) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-30119 | LINCS |