EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H34N2O2 |
| Net Charge | 0 |
| Average Mass | 358.526 |
| Monoisotopic Mass | 358.26203 |
| SMILES | [H][C@@]12CCC3=C/C(=N/O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@@H](C)/C=N/O |
| InChI | InChI=1S/C22H34N2O2/c1-14(13-23-25)18-6-7-19-17-5-4-15-12-16(24-26)8-10-21(15,2)20(17)9-11-22(18,19)3/h12-14,17-20,25-26H,4-11H2,1-3H3/b23-13+,24-16+/t14-,17-,18+,19-,20-,21-,22+/m0/s1 |
| InChIKey | LPFFRMGUWCHBIL-YMTOYBDESA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime (CHEBI:79625) is a aldoxime (CHEBI:22307) |
| 3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime (CHEBI:79625) is a ketoxime (CHEBI:24983) |
| Manual Xrefs | Databases |
|---|---|
| C15106 | KEGG COMPOUND |