EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H30N4O4S |
| Net Charge | 0 |
| Average Mass | 410.540 |
| Monoisotopic Mass | 410.19878 |
| SMILES | O=C(C[C@@H]1CC[C@@H](NC(=O)CCN2CCCCC2)[C@@H](CO)O1)Nc1nccs1 |
| InChI | InChI=1S/C19H30N4O4S/c24-13-16-15(21-17(25)6-10-23-8-2-1-3-9-23)5-4-14(27-16)12-18(26)22-19-20-7-11-28-19/h7,11,14-16,24H,1-6,8-10,12-13H2,(H,21,25)(H,20,22,26)/t14-,15+,16+/m0/s1 |
| InChIKey | IZCYNDJXNVTGPG-ARFHVFGLSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-thiazolylamino)ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide (CHEBI:98921) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-10300 | LINCS |