EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H28N2O5 |
| Net Charge | 0 |
| Average Mass | 352.431 |
| Monoisotopic Mass | 352.19982 |
| SMILES | O=C(C[C@@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCC1CC1 |
| InChI | InChI=1S/C18H28N2O5/c21-11-16-15(20-18(23)13-5-7-24-8-6-13)4-3-14(25-16)9-17(22)19-10-12-1-2-12/h3-4,12-16,21H,1-2,5-11H2,(H,19,22)(H,20,23)/t14-,15+,16+/m0/s1 |
| InChIKey | LATIXEUUNJKTQG-ARFHVFGLSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2S,3R,6R)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-oxanecarboxamide (CHEBI:118900) is a pyrans (CHEBI:26407) |
| Manual Xrefs | Databases |
|---|---|
| LSM-30349 | LINCS |