EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H21N3O4S |
| Net Charge | 0 |
| Average Mass | 327.406 |
| Monoisotopic Mass | 327.12528 |
| SMILES | O=C(C[C@H]1CC[C@@H]2NC[C@H](O)COC[C@H]2O1)Nc1nccs1 |
| InChI | InChI=1S/C14H21N3O4S/c18-9-6-16-11-2-1-10(21-12(11)8-20-7-9)5-13(19)17-14-15-3-4-22-14/h3-4,9-12,16,18H,1-2,5-8H2,(H,15,17,19)/t9-,10+,11-,12+/m0/s1 |
| InChIKey | LPUMVFGYOYFXDR-WHOHXGKFSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(3S,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide (CHEBI:99172) is a aromatic amide (CHEBI:62733) |
| Manual Xrefs | Databases |
|---|---|
| LSM-10551 | LINCS |